8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate

C258H309B2Br5F12N34O58S2 — CID 157306095

IUPAC8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate
SMILESCC1(C)OB(c2ccc3c(c2)COc2c-3ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)OC1(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CN(C(=O)OC(C)(C)C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(=O)c1ccc(Br)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(CC(F)(F)F)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1CN(CC(F)(F)F)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(Cc2ccccc2)C[C@H]1C(=O)OC)C(C)C.COC(=O)[C@@H]1CN(Cc2ccccc2)CN1.COc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.O=S(=O)(Oc1ccc2c(c1)COc1c-2ccc2cc(OS(=O)(=O)C(F)(F)F)ccc12)C(F)(F)F.Oc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3
InChIInChI=1S/C44H57N9O8.C29H34B2O5.C24H32BrN5O5.C24H33BrN4O7.C21H25BrF3N5O3.C19H10F6O7S2.C19H27N3O5.C18H13BrO2.C17H11BrO2.C17H29N3O7.C14H22F3N3O5.C12H16N2O2/c1-25(2)35(49-41(56)59-8)39(54)52-20-10-11-33(52)37-45-21-31(47-37)29-16-12-27(13-17-29)28-14-18-30(19-15-28)32-22-46-38(48-32)34-23-51(43(58)61-44(5,6)7)24-53(34)40(55)36(26(3)4)50-42(57)60-9;1-26(2)27(3,4)34-30(33-26)20-11-14-23-18(15-20)9-12-24-22-13-10-21(16-19(22)17-32-25(23)24)31-35-28(5,6)29(7,8)36-31;1-14(2)19(28-22(32)34-6)21(31)30-13-29(23(33)35-24(3,4)5)12-18(30)20-26-11-17(27-20)15-7-9-16(25)10-8-15;1-14(2)19(27-22(33)35-6)21(32)29-13-28(23(34)36-24(3,4)5)12-17(29)20(31)26-11-18(30)15-7-9-16(25)10-8-15;1-12(2)17(28-20(32)33-3)19(31)30-11-29(10-21(23,24)25)9-16(30)18-26-8-15(27-18)13-4-6-14(22)7-5-13;20-18(21,22)33(26,27)31-12-3-6-15-10(7-12)1-4-16-14-5-2-13(8-11(14)9-30-17(15)16)32-34(28,29)19(23,24)25;1-13(2)16(20-19(25)27-4)17(23)22-12-21(11-15(22)18(24)26-3)10-14-8-6-5-7-9-14;1-20-14-4-7-16-11(9-14)2-5-17-15-6-3-13(19)8-12(15)10-21-18(16)17;18-12-2-5-14-11(7-12)9-20-17-15-6-3-13(19)8-10(15)1-4-16(14)17;1-10(2)12(18-15(23)26-7)13(21)20-9-19(8-11(20)14(22)25-6)16(24)27-17(3,4)5;1-8(2)10(18-13(23)25-4)11(21)20-7-19(6-14(15,16)17)5-9(20)12(22)24-3;1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h12-19,21-22,25-26,33-36H,10-11,20,23-24H2,1-9H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57);9-16H,17H2,1-8H3;7-11,14,18-19H,12-13H2,1-6H3,(H,26,27)(H,28,32);7-10,14,17,19H,11-13H2,1-6H3,(H,26,31)(H,27,33);4-8,12,16-17H,9-11H2,1-3H3,(H,26,27)(H,28,32);1-8H,9H2;5-9,13,15-16H,10-12H2,1-4H3,(H,20,25);2-9H,10H2,1H3;1-8,19H,9H2;10-12H,8-9H2,1-7H3,(H,18,23);8-10H,5-7H2,1-4H3,(H,18,23);2-6,11,13H,7-9H2,1H3/t33-,34-,35-,36-;;18-,19-;17-,19-;16-,17-;;15-,16-;;;11-,12-;9-,10-;11-/m0.000.0..000/s1
InChIKeyBCMJIEVWKNLSSW-YEIGEKDZSA-N
MW5527.74 g/mol
LogP40.60
Rot. Bonds54

About 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate

8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate (PubChem CID 157306095) has the molecular formula C258H309B2Br5F12N34O58S2 and a molecular weight of 5527.74 g/mol. Its IUPAC name is 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate
PubChem CID157306095
Molecular FormulaC258H309B2Br5F12N34O58S2
Molecular Weight5527.74 g/mol
Exact Mass5519.76
IUPAC Name8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate
SMILESCC1(C)OB(c2ccc3c(c2)COc2c-3ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)OC1(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CN(C(=O)OC(C)(C)C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(=O)c1ccc(Br)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(CC(F)(F)F)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1CN(CC(F)(F)F)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(Cc2ccccc2)C[C@H]1C(=O)OC)C(C)C.COC(=O)[C@@H]1CN(Cc2ccccc2)CN1.COc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.O=S(=O)(Oc1ccc2c(c1)COc1c-2ccc2cc(OS(=O)(=O)C(F)(F)F)ccc12)C(F)(F)F.Oc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3
InChIInChI=1S/C44H57N9O8.C29H34B2O5.C24H32BrN5O5.C24H33BrN4O7.C21H25BrF3N5O3.C19H10F6O7S2.C19H27N3O5.C18H13BrO2.C17H11BrO2.C17H29N3O7.C14H22F3N3O5.C12H16N2O2/c1-25(2)35(49-41(56)59-8)39(54)52-20-10-11-33(52)37-45-21-31(47-37)29-16-12-27(13-17-29)28-14-18-30(19-15-28)32-22-46-38(48-32)34-23-51(43(58)61-44(5,6)7)24-53(34)40(55)36(26(3)4)50-42(57)60-9;1-26(2)27(3,4)34-30(33-26)20-11-14-23-18(15-20)9-12-24-22-13-10-21(16-19(22)17-32-25(23)24)31-35-28(5,6)29(7,8)36-31;1-14(2)19(28-22(32)34-6)21(31)30-13-29(23(33)35-24(3,4)5)12-18(30)20-26-11-17(27-20)15-7-9-16(25)10-8-15;1-14(2)19(27-22(33)35-6)21(32)29-13-28(23(34)36-24(3,4)5)12-17(29)20(31)26-11-18(30)15-7-9-16(25)10-8-15;1-12(2)17(28-20(32)33-3)19(31)30-11-29(10-21(23,24)25)9-16(30)18-26-8-15(27-18)13-4-6-14(22)7-5-13;20-18(21,22)33(26,27)31-12-3-6-15-10(7-12)1-4-16-14-5-2-13(8-11(14)9-30-17(15)16)32-34(28,29)19(23,24)25;1-13(2)16(20-19(25)27-4)17(23)22-12-21(11-15(22)18(24)26-3)10-14-8-6-5-7-9-14;1-20-14-4-7-16-11(9-14)2-5-17-15-6-3-13(19)8-12(15)10-21-18(16)17;18-12-2-5-14-11(7-12)9-20-17-15-6-3-13(19)8-10(15)1-4-16(14)17;1-10(2)12(18-15(23)26-7)13(21)20-9-19(8-11(20)14(22)25-6)16(24)27-17(3,4)5;1-8(2)10(18-13(23)25-4)11(21)20-7-19(6-14(15,16)17)5-9(20)12(22)24-3;1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h12-19,21-22,25-26,33-36H,10-11,20,23-24H2,1-9H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57);9-16H,17H2,1-8H3;7-11,14,18-19H,12-13H2,1-6H3,(H,26,27)(H,28,32);7-10,14,17,19H,11-13H2,1-6H3,(H,26,31)(H,27,33);4-8,12,16-17H,9-11H2,1-3H3,(H,26,27)(H,28,32);1-8H,9H2;5-9,13,15-16H,10-12H2,1-4H3,(H,20,25);2-9H,10H2,1H3;1-8,19H,9H2;10-12H,8-9H2,1-7H3,(H,18,23);8-10H,5-7H2,1-4H3,(H,18,23);2-6,11,13H,7-9H2,1H3/t33-,34-,35-,36-;;18-,19-;17-,19-;16-,17-;;15-,16-;;;11-,12-;9-,10-;11-/m0.000.0..000/s1
InChIKeyBCMJIEVWKNLSSW-YEIGEKDZSA-N
XLogP40.60
TPSA1068.40 Ų
H-Bond Donors15
H-Bond Acceptors67
Rotatable Bonds54
Heavy Atoms371
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005527.74
LogP ≤ 540.60
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1067

Analyze 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate with MolForge

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Related Compounds

8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-1H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;(2-methyl-6H-naphtho[1,2-c]isochromen-8-yl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane
CID 157076631
tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[7-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S)-1-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 159864185
acetic acid;azane;1-(4-bromophenyl)-2-(chloroamino)ethanone;tert-butyl (2S,4R)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4R)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-4-isocyanopyrrolidine-1-carboxylate;(2S,4R)-4-isocyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,4R)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-fluoro-4-isocyano-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 161330987
tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate;tert-butyl N-[2-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-oxoethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 160958438
tert-butyl (2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidine-1-carboxylate;methane;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 162044823
tert-butyl (2S)-2-[17-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidine-1-carboxylate;methane;2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[17-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 162044822
tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;methyl (3S)-3-[(5S)-5-[5-(4-bromophenyl)-3H-pyrrol-2-yl]-3-methylsulfonylimidazolidine-1-carbonyl]-4-methylpentanoate;methyl (3S)-3-[(5S)-5-[5-(4-bromophenyl)-3H-pyrrol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-1-carbonyl]-4-methylpentanoate;methyl (4S)-3-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;methyl (3S)-4-methyl-3-[(5S)-5-[5-(4-methylphenyl)-3H-pyrrol-2-yl]-3-phenylimidazolidine-1-carbonyl]pentanoate
CID 158412867
tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 158231530
tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(methoxymethyl)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161129093
tert-butyl (2S,4S)-2-(5-bromo-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;molecular hydrogen
CID 161076751
tert-butyl 2-[17-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidine-1-carboxylate
CID 123794485
tert-butyl 2-[5-[7-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 123242816

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate?
The IUPAC name of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate (CID 157306095) is 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate.
What is the SMILES notation for 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate?
The canonical SMILES for 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate is CC1(C)OB(c2ccc3c(c2)COc2c-3ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc23)OC1(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CN(C(=O)OC(C)(C)C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(=O)c1ccc(Br)cc1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1CN(C(=O)OC(C)(C)C)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(CC(F)(F)F)C[C@H]1C(=O)OC)C(C)C.COC(=O)N[C@H](C(=O)N1CN(CC(F)(F)F)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CN(Cc2ccccc2)C[C@H]1C(=O)OC)C(C)C.COC(=O)[C@@H]1CN(Cc2ccccc2)CN1.COc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.O=S(=O)(Oc1ccc2c(c1)COc1c-2ccc2cc(OS(=O)(=O)C(F)(F)F)ccc12)C(F)(F)F.Oc1ccc2c3c(ccc2c1)-c1ccc(Br)cc1CO3.
What is the InChIKey of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate?
The InChIKey is BCMJIEVWKNLSSW-YEIGEKDZSA-N. The full InChI is InChI=1S/C44H57N9O8.C29H34B2O5.C24H32BrN5O5.C24H33BrN4O7.C21H25BrF3N5O3.C19H10F6O7S2.C19H27N3O5.C18H13BrO2.C17H11BrO2.C17H29N3O7.C14H22F3N3O5.C12H16N2O2/c1-25(2)35(49-41(56)59-8)39(54)52-20-10-11-33(52)37-45-21-31(47-37)29-16-12-27(13-17-29)28-14-18-30(19-15-28)32-22-46-38(48-32)34-23-51(43(58)61-44(5,6)7)24-53(34)40(55)36(26(3)4)50-42(57)60-9;1-26(2)27(3,4)34-30(33-26)20-11-14-23-18(15-20)9-12-24-22-13-10-21(16-19(22)17-32-25(23)24)31-35-28(5,6)29(7,8)36-31;1-14(2)19(28-22(32)34-6)21(31)30-13-29(23(33)35-24(3,4)5)12-18(30)20-26-11-17(27-20)15-7-9-16(25)10-8-15;1-14(2)19(27-22(33)35-6)21(32)29-13-28(23(34)36-24(3,4)5)12-17(29)20(31)26-11-18(30)15-7-9-16(25)10-8-15;1-12(2)17(28-20(32)33-3)19(31)30-11-29(10-21(23,24)25)9-16(30)18-26-8-15(27-18)13-4-6-14(22)7-5-13;20-18(21,22)33(26,27)31-12-3-6-15-10(7-12)1-4-16-14-5-2-13(8-11(14)9-30-17(15)16)32-34(28,29)19(23,24)25;1-13(2)16(20-19(25)27-4)17(23)22-12-21(11-15(22)18(24)26-3)10-14-8-6-5-7-9-14;1-20-14-4-7-16-11(9-14)2-5-17-15-6-3-13(19)8-12(15)10-21-18(16)17;18-12-2-5-14-11(7-12)9-20-17-15-6-3-13(19)8-10(15)1-4-16(14)17;1-10(2)12(18-15(23)26-7)13(21)20-9-19(8-11(20)14(22)25-6)16(24)27-17(3,4)5;1-8(2)10(18-13(23)25-4)11(21)20-7-19(6-14(15,16)17)5-9(20)12(22)24-3;1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h12-19,21-22,25-26,33-36H,10-11,20,23-24H2,1-9H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57);9-16H,17H2,1-8H3;7-11,14,18-19H,12-13H2,1-6H3,(H,26,27)(H,28,32);7-10,14,17,19H,11-13H2,1-6H3,(H,26,31)(H,27,33);4-8,12,16-17H,9-11H2,1-3H3,(H,26,27)(H,28,32);1-8H,9H2;5-9,13,15-16H,10-12H2,1-4H3,(H,20,25);2-9H,10H2,1H3;1-8,19H,9H2;10-12H,8-9H2,1-7H3,(H,18,23);8-10H,5-7H2,1-4H3,(H,18,23);2-6,11,13H,7-9H2,1H3/t33-,34-,35-,36-;;18-,19-;17-,19-;16-,17-;;15-,16-;;;11-,12-;9-,10-;11-/m0.000.0..000/s1.
What are the key properties of 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate?
8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate has a molecular weight of 5527.74 g/mol, XLogP of 40.60, 54 rotatable bonds, 15 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methoxy-6H-naphtho[1,2-c]isochromene;8-bromo-6H-naphtho[1,2-c]isochromen-2-ol;tert-butyl (4S)-4-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-4-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1-carboxylate;tert-butyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]imidazolidine-1-carboxylate;1-O-tert-butyl 4-O-methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-1,4-dicarboxylate;methyl (4S)-1-benzylimidazolidine-4-carboxylate;methyl (4S)-1-benzyl-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]imidazolidine-4-carboxylate;methyl N-[(2S)-1-[(5S)-5-[5-(4-bromophenyl)-1H-imidazol-2-yl]-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylate;4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1,3,2-dioxaborolane;[2-(trifluoromethylsulfonyloxy)-6H-naphtho[1,2-c]isochromen-8-yl] trifluoromethanesulfonate is sourced from PubChem (CID 157306095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).