(2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide

C168H160Cl3F21N24O40 — CID 161437918

IUPAC(2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
SMILESCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COCC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cc(Cl)c(F)cc3F)cn2[C@H]2CCOC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cc(F)c(F)cc3F)cn2[C@H]2CCOC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn2[C@H]2COCC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(F)c3F)cn2[C@H]2CCOC[C@H]21.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COCC[C@]21C.C[C@@H]1OCC[C@H]2[C@@H]1N(C)C(=O)c1c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn12.C[C@@H]1OCC[C@H]2[C@@H]1N(C)C(=O)c1c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn12
InChIInChI=1S/3C21H20ClF2N3O5.5C21H20F3N3O5/c1-9-16-13(5-6-32-9)27-8-11(18(28)19(29)17(27)21(31)26(16)2)20(30)25-7-10-3-4-12(23)14(22)15(10)24;1-2-26-16-9-32-4-3-15(16)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-5-12(22)14(24)6-13(10)23;1-2-26-13-5-6-32-9-14(13)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(23)15(22)16(10)24;1-21-3-4-32-9-15(21)27-8-12(17(28)18(29)16(27)20(31)26(21)2)19(30)25-7-11-13(23)5-10(22)6-14(11)24;1-9-16-15(3-4-32-9)27-8-12(18(28)19(29)17(27)21(31)26(16)2)20(30)25-7-11-13(23)5-10(22)6-14(11)24;1-2-26-16-9-32-4-3-15(16)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-5-13(23)14(24)6-12(10)22;1-2-26-15-3-4-32-9-16(15)27-8-12(18(28)19(29)17(27)21(26)31)20(30)25-7-11-13(23)5-10(22)6-14(11)24;1-2-26-14-9-32-6-5-13(14)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(22)16(24)15(10)23/h3-4,8-9,13,16,29H,5-7H2,1-2H3,(H,25,30);5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30);3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30);5-6,8,15,29H,3-4,7,9H2,1-2H3,(H,25,30);5-6,8-9,15-16,29H,3-4,7H2,1-2H3,(H,25,30);2*5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30);3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30)/t9-,13-,16+;15-,16+;13-,14+;15-,21+;9-,15-,16+;2*15-,16+;13-,14+/m00100010/s1
InChIKeyVYWXMASRXDULNT-PWRJAEMKSA-N
MW3660.57 g/mol
LogP15.19
Rot. Bonds29

About (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide

(2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide (PubChem CID 161437918) has the molecular formula C168H160Cl3F21N24O40 and a molecular weight of 3660.57 g/mol. Its IUPAC name is (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name(2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
PubChem CID161437918
Molecular FormulaC168H160Cl3F21N24O40
Molecular Weight3660.57 g/mol
Exact Mass3657.00
IUPAC Name(2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
SMILESCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COCC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cc(Cl)c(F)cc3F)cn2[C@H]2CCOC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cc(F)c(F)cc3F)cn2[C@H]2CCOC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn2[C@H]2COCC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(F)c3F)cn2[C@H]2CCOC[C@H]21.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COCC[C@]21C.C[C@@H]1OCC[C@H]2[C@@H]1N(C)C(=O)c1c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn12.C[C@@H]1OCC[C@H]2[C@@H]1N(C)C(=O)c1c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn12
InChIInChI=1S/3C21H20ClF2N3O5.5C21H20F3N3O5/c1-9-16-13(5-6-32-9)27-8-11(18(28)19(29)17(27)21(31)26(16)2)20(30)25-7-10-3-4-12(23)14(22)15(10)24;1-2-26-16-9-32-4-3-15(16)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-5-12(22)14(24)6-13(10)23;1-2-26-13-5-6-32-9-14(13)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(23)15(22)16(10)24;1-21-3-4-32-9-15(21)27-8-12(17(28)18(29)16(27)20(31)26(21)2)19(30)25-7-11-13(23)5-10(22)6-14(11)24;1-9-16-15(3-4-32-9)27-8-12(18(28)19(29)17(27)21(31)26(16)2)20(30)25-7-11-13(23)5-10(22)6-14(11)24;1-2-26-16-9-32-4-3-15(16)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-5-13(23)14(24)6-12(10)22;1-2-26-15-3-4-32-9-16(15)27-8-12(18(28)19(29)17(27)21(26)31)20(30)25-7-11-13(23)5-10(22)6-14(11)24;1-2-26-14-9-32-6-5-13(14)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(22)16(24)15(10)23/h3-4,8-9,13,16,29H,5-7H2,1-2H3,(H,25,30);5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30);3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30);5-6,8,15,29H,3-4,7,9H2,1-2H3,(H,25,30);5-6,8-9,15-16,29H,3-4,7H2,1-2H3,(H,25,30);2*5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30);3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30)/t9-,13-,16+;15-,16+;13-,14+;15-,21+;9-,15-,16+;2*15-,16+;13-,14+/m00100010/s1
InChIKeyVYWXMASRXDULNT-PWRJAEMKSA-N
XLogP15.19
TPSA806.96 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds29
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003660.57
LogP ≤ 515.19
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,11aS)-5-ethyl-7-hydroxy-3,6,8-trioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aR,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aR,11aS)-7-hydroxy-5-methyl-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 162120057
(1R,10S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-9-ethyl-6-hydroxy-5,8-dioxo-12-oxa-2,9-diazatricyclo[8.5.0.02,7]pentadeca-3,6-diene-4-carboxamide
CID 129094872
(4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 158775197
(2S,7S)-N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
CID 121422185
(4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
CID 159765115
(2S,7S)-8-ethyl-N-[(2-fluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
CID 121422218
N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
CID 163726622
(6S)-7-ethyl-10-hydroxy-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 138599671
(2S,6R)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 121422009
(2S,6R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-7-ethyl-10-hydroxy-8,11-dioxo-5-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 121422031
(1S,10R,13R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-12-oxa-2,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,6-diene-4-carboxamide
CID 129065896
(2S,7S)-11-methoxy-9,12-dioxo-8-propyl-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
CID 121422130

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide (CID 161437918) is (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide.
What is the SMILES notation for (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide is CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COCC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cc(Cl)c(F)cc3F)cn2[C@H]2CCOC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cc(F)c(F)cc3F)cn2[C@H]2CCOC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn2[C@H]2COCC[C@H]21.CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(F)c3F)cn2[C@H]2CCOC[C@H]21.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COCC[C@]21C.C[C@@H]1OCC[C@H]2[C@@H]1N(C)C(=O)c1c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn12.C[C@@H]1OCC[C@H]2[C@@H]1N(C)C(=O)c1c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn12.
What is the InChIKey of (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is VYWXMASRXDULNT-PWRJAEMKSA-N. The full InChI is InChI=1S/3C21H20ClF2N3O5.5C21H20F3N3O5/c1-9-16-13(5-6-32-9)27-8-11(18(28)19(29)17(27)21(31)26(16)2)20(30)25-7-10-3-4-12(23)14(22)15(10)24;1-2-26-16-9-32-4-3-15(16)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-5-12(22)14(24)6-13(10)23;1-2-26-13-5-6-32-9-14(13)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(23)15(22)16(10)24;1-21-3-4-32-9-15(21)27-8-12(17(28)18(29)16(27)20(31)26(21)2)19(30)25-7-11-13(23)5-10(22)6-14(11)24;1-9-16-15(3-4-32-9)27-8-12(18(28)19(29)17(27)21(31)26(16)2)20(30)25-7-11-13(23)5-10(22)6-14(11)24;1-2-26-16-9-32-4-3-15(16)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-5-13(23)14(24)6-12(10)22;1-2-26-15-3-4-32-9-16(15)27-8-12(18(28)19(29)17(27)21(26)31)20(30)25-7-11-13(23)5-10(22)6-14(11)24;1-2-26-14-9-32-6-5-13(14)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(22)16(24)15(10)23/h3-4,8-9,13,16,29H,5-7H2,1-2H3,(H,25,30);5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30);3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30);5-6,8,15,29H,3-4,7,9H2,1-2H3,(H,25,30);5-6,8-9,15-16,29H,3-4,7H2,1-2H3,(H,25,30);2*5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30);3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30)/t9-,13-,16+;15-,16+;13-,14+;15-,21+;9-,15-,16+;2*15-,16+;13-,14+/m00100010/s1.
What are the key properties of (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide?
(2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 3660.57 g/mol, XLogP of 15.19, 29 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-N-[(5-chloro-2,4-difluorophenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-11-hydroxy-6,8-dimethyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,3,4-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,7S)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,5-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-8-ethyl-11-hydroxy-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S,7S)-11-hydroxy-6,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7R)-11-hydroxy-7,8-dimethyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 161437918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).