N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide

C259H286F10N48O33S13 — CID 162258403

IUPACN-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CN(Cc1cccnc1)C(=O)c1nc2sc3c(c2c(=O)[nH]1)CCC3.CN1CCN(c2cccc(CNC(=O)c3nc4sc5c(c4c(=O)[nH]3)CCC5)c2)CC1.COc1ccc(CNC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1.Cc1cccc(CNC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCC4)c1.O=C(NCc1ccc(C(F)(F)F)nc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(N2CCOCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(OC(F)(F)F)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1cccc(N2CCOCC2)c1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1F)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1N1CCOCC1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1OC(F)(F)F)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccncc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3
InChIInChI=1S/C22H25N5O2S.C22H24N4O3S.3C21H22N4O3S.2C18H14F3N3O3S.C18H17N3O3S.C18H17N3O2S.C17H13F3N4O2S.C17H14FN3O2S.C17H16N4O2S.C16H14N4O2S.13CH4/c1-26-8-10-27(11-9-26)15-5-2-4-14(12-15)13-23-21(29)19-24-20(28)18-16-6-3-7-17(16)30-22(18)25-19;27-20-18-16-2-1-3-17(16)30-22(18)25-19(24-20)21(28)23-12-14-4-6-15(7-5-14)13-26-8-10-29-11-9-26;26-19-17-15-5-2-6-16(15)29-21(17)24-18(23-19)20(27)22-12-13-3-1-4-14(11-13)25-7-9-28-10-8-25;26-19-17-14-5-3-7-16(14)29-21(17)24-18(23-19)20(27)22-12-13-4-1-2-6-15(13)25-8-10-28-11-9-25;26-19-17-15-2-1-3-16(15)29-21(17)24-18(23-19)20(27)22-12-13-4-6-14(7-5-13)25-8-10-28-11-9-25;19-18(20,21)27-11-6-2-1-4-9(11)8-22-16(26)14-23-15(25)13-10-5-3-7-12(10)28-17(13)24-14;19-18(20,21)27-10-6-4-9(5-7-10)8-22-16(26)14-23-15(25)13-11-2-1-3-12(11)28-17(13)24-14;1-24-11-7-5-10(6-8-11)9-19-17(23)15-20-16(22)14-12-3-2-4-13(12)25-18(14)21-15;1-10-4-2-5-11(8-10)9-19-17(23)15-20-16(22)14-12-6-3-7-13(12)24-18(14)21-15;18-17(19,20)11-5-4-8(6-21-11)7-22-15(26)13-23-14(25)12-9-2-1-3-10(9)27-16(12)24-13;18-11-6-2-1-4-9(11)8-19-16(23)14-20-15(22)13-10-5-3-7-12(10)24-17(13)21-14;1-21(9-10-4-3-7-18-8-10)17(23)14-19-15(22)13-11-5-2-6-12(11)24-16(13)20-14;21-14-12-10-2-1-3-11(10)23-16(12)20-13(19-14)15(22)18-8-9-4-6-17-7-5-9;;;;;;;;;;;;;/h2,4-5,12H,3,6-11,13H2,1H3,(H,23,29)(H,24,25,28);4-7H,1-3,8-13H2,(H,23,28)(H,24,25,27);1,3-4,11H,2,5-10,12H2,(H,22,27)(H,23,24,26);1-2,4,6H,3,5,7-12H2,(H,22,27)(H,23,24,26);4-7H,1-3,8-12H2,(H,22,27)(H,23,24,26);1-2,4,6H,3,5,7-8H2,(H,22,26)(H,23,24,25);4-7H,1-3,8H2,(H,22,26)(H,23,24,25);5-8H,2-4,9H2,1H3,(H,19,23)(H,20,21,22);2,4-5,8H,3,6-7,9H2,1H3,(H,19,23)(H,20,21,22);4-6H,1-3,7H2,(H,22,26)(H,23,24,25);1-2,4,6H,3,5,7-8H2,(H,19,23)(H,20,21,22);3-4,7-8H,2,5-6,9H2,1H3,(H,19,20,22);4-7H,1-3,8H2,(H,18,22)(H,19,20,21);13*1H4
InChIKeyZYXFCHSJEOFUNC-UHFFFAOYSA-N
MW5206.29 g/mol
LogP40.41
Rot. Bonds48

About N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide

N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide (PubChem CID 162258403) has the molecular formula C259H286F10N48O33S13 and a molecular weight of 5206.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide
PubChem CID162258403
Molecular FormulaC259H286F10N48O33S13
Molecular Weight5206.29 g/mol
Exact Mass5201.84
IUPAC NameN-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CN(Cc1cccnc1)C(=O)c1nc2sc3c(c2c(=O)[nH]1)CCC3.CN1CCN(c2cccc(CNC(=O)c3nc4sc5c(c4c(=O)[nH]3)CCC5)c2)CC1.COc1ccc(CNC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1.Cc1cccc(CNC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCC4)c1.O=C(NCc1ccc(C(F)(F)F)nc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(N2CCOCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(OC(F)(F)F)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1cccc(N2CCOCC2)c1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1F)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1N1CCOCC1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1OC(F)(F)F)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccncc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3
InChIInChI=1S/C22H25N5O2S.C22H24N4O3S.3C21H22N4O3S.2C18H14F3N3O3S.C18H17N3O3S.C18H17N3O2S.C17H13F3N4O2S.C17H14FN3O2S.C17H16N4O2S.C16H14N4O2S.13CH4/c1-26-8-10-27(11-9-26)15-5-2-4-14(12-15)13-23-21(29)19-24-20(28)18-16-6-3-7-17(16)30-22(18)25-19;27-20-18-16-2-1-3-17(16)30-22(18)25-19(24-20)21(28)23-12-14-4-6-15(7-5-14)13-26-8-10-29-11-9-26;26-19-17-15-5-2-6-16(15)29-21(17)24-18(23-19)20(27)22-12-13-3-1-4-14(11-13)25-7-9-28-10-8-25;26-19-17-14-5-3-7-16(14)29-21(17)24-18(23-19)20(27)22-12-13-4-1-2-6-15(13)25-8-10-28-11-9-25;26-19-17-15-2-1-3-16(15)29-21(17)24-18(23-19)20(27)22-12-13-4-6-14(7-5-13)25-8-10-28-11-9-25;19-18(20,21)27-11-6-2-1-4-9(11)8-22-16(26)14-23-15(25)13-10-5-3-7-12(10)28-17(13)24-14;19-18(20,21)27-10-6-4-9(5-7-10)8-22-16(26)14-23-15(25)13-11-2-1-3-12(11)28-17(13)24-14;1-24-11-7-5-10(6-8-11)9-19-17(23)15-20-16(22)14-12-3-2-4-13(12)25-18(14)21-15;1-10-4-2-5-11(8-10)9-19-17(23)15-20-16(22)14-12-6-3-7-13(12)24-18(14)21-15;18-17(19,20)11-5-4-8(6-21-11)7-22-15(26)13-23-14(25)12-9-2-1-3-10(9)27-16(12)24-13;18-11-6-2-1-4-9(11)8-19-16(23)14-20-15(22)13-10-5-3-7-12(10)24-17(13)21-14;1-21(9-10-4-3-7-18-8-10)17(23)14-19-15(22)13-11-5-2-6-12(11)24-16(13)20-14;21-14-12-10-2-1-3-11(10)23-16(12)20-13(19-14)15(22)18-8-9-4-6-17-7-5-9;;;;;;;;;;;;;/h2,4-5,12H,3,6-11,13H2,1H3,(H,23,29)(H,24,25,28);4-7H,1-3,8-13H2,(H,23,28)(H,24,25,27);1,3-4,11H,2,5-10,12H2,(H,22,27)(H,23,24,26);1-2,4,6H,3,5,7-12H2,(H,22,27)(H,23,24,26);4-7H,1-3,8-12H2,(H,22,27)(H,23,24,26);1-2,4,6H,3,5,7-8H2,(H,22,26)(H,23,24,25);4-7H,1-3,8H2,(H,22,26)(H,23,24,25);5-8H,2-4,9H2,1H3,(H,19,23)(H,20,21,22);2,4-5,8H,3,6-7,9H2,1H3,(H,19,23)(H,20,21,22);4-6H,1-3,7H2,(H,22,26)(H,23,24,25);1-2,4,6H,3,5,7-8H2,(H,19,23)(H,20,21,22);3-4,7-8H,2,5-6,9H2,1H3,(H,19,20,22);4-7H,1-3,8H2,(H,18,22)(H,19,20,21);13*1H4
InChIKeyZYXFCHSJEOFUNC-UHFFFAOYSA-N
XLogP40.41
TPSA1086.98 Ų
H-Bond Donors25
H-Bond Acceptors68
Rotatable Bonds48
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005206.29
LogP ≤ 540.41
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1068

Analyze N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide (CID 162258403) is N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide is C.C.C.C.C.C.C.C.C.C.C.C.C.CN(Cc1cccnc1)C(=O)c1nc2sc3c(c2c(=O)[nH]1)CCC3.CN1CCN(c2cccc(CNC(=O)c3nc4sc5c(c4c(=O)[nH]3)CCC5)c2)CC1.COc1ccc(CNC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1.Cc1cccc(CNC(=O)c2nc3sc4c(c3c(=O)[nH]2)CCC4)c1.O=C(NCc1ccc(C(F)(F)F)nc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(N2CCOCC2)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccc(OC(F)(F)F)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1cccc(N2CCOCC2)c1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1F)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1N1CCOCC1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccccc1OC(F)(F)F)c1nc2sc3c(c2c(=O)[nH]1)CCC3.O=C(NCc1ccncc1)c1nc2sc3c(c2c(=O)[nH]1)CCC3.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide?
The InChIKey is ZYXFCHSJEOFUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S.C22H24N4O3S.3C21H22N4O3S.2C18H14F3N3O3S.C18H17N3O3S.C18H17N3O2S.C17H13F3N4O2S.C17H14FN3O2S.C17H16N4O2S.C16H14N4O2S.13CH4/c1-26-8-10-27(11-9-26)15-5-2-4-14(12-15)13-23-21(29)19-24-20(28)18-16-6-3-7-17(16)30-22(18)25-19;27-20-18-16-2-1-3-17(16)30-22(18)25-19(24-20)21(28)23-12-14-4-6-15(7-5-14)13-26-8-10-29-11-9-26;26-19-17-15-5-2-6-16(15)29-21(17)24-18(23-19)20(27)22-12-13-3-1-4-14(11-13)25-7-9-28-10-8-25;26-19-17-14-5-3-7-16(14)29-21(17)24-18(23-19)20(27)22-12-13-4-1-2-6-15(13)25-8-10-28-11-9-25;26-19-17-15-2-1-3-16(15)29-21(17)24-18(23-19)20(27)22-12-13-4-6-14(7-5-13)25-8-10-28-11-9-25;19-18(20,21)27-11-6-2-1-4-9(11)8-22-16(26)14-23-15(25)13-10-5-3-7-12(10)28-17(13)24-14;19-18(20,21)27-10-6-4-9(5-7-10)8-22-16(26)14-23-15(25)13-11-2-1-3-12(11)28-17(13)24-14;1-24-11-7-5-10(6-8-11)9-19-17(23)15-20-16(22)14-12-3-2-4-13(12)25-18(14)21-15;1-10-4-2-5-11(8-10)9-19-17(23)15-20-16(22)14-12-6-3-7-13(12)24-18(14)21-15;18-17(19,20)11-5-4-8(6-21-11)7-22-15(26)13-23-14(25)12-9-2-1-3-10(9)27-16(12)24-13;18-11-6-2-1-4-9(11)8-19-16(23)14-20-15(22)13-10-5-3-7-12(10)24-17(13)21-14;1-21(9-10-4-3-7-18-8-10)17(23)14-19-15(22)13-11-5-2-6-12(11)24-16(13)20-14;21-14-12-10-2-1-3-11(10)23-16(12)20-13(19-14)15(22)18-8-9-4-6-17-7-5-9;;;;;;;;;;;;;/h2,4-5,12H,3,6-11,13H2,1H3,(H,23,29)(H,24,25,28);4-7H,1-3,8-13H2,(H,23,28)(H,24,25,27);1,3-4,11H,2,5-10,12H2,(H,22,27)(H,23,24,26);1-2,4,6H,3,5,7-12H2,(H,22,27)(H,23,24,26);4-7H,1-3,8-12H2,(H,22,27)(H,23,24,26);1-2,4,6H,3,5,7-8H2,(H,22,26)(H,23,24,25);4-7H,1-3,8H2,(H,22,26)(H,23,24,25);5-8H,2-4,9H2,1H3,(H,19,23)(H,20,21,22);2,4-5,8H,3,6-7,9H2,1H3,(H,19,23)(H,20,21,22);4-6H,1-3,7H2,(H,22,26)(H,23,24,25);1-2,4,6H,3,5,7-8H2,(H,19,23)(H,20,21,22);3-4,7-8H,2,5-6,9H2,1H3,(H,19,20,22);4-7H,1-3,8H2,(H,18,22)(H,19,20,21);13*1H4.
What are the key properties of N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide?
N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide has a molecular weight of 5206.29 g/mol, XLogP of 40.41, 48 rotatable bonds, 25 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;methane;N-[(4-methoxyphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-methyl-12-oxo-N-(pyridin-3-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-methylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(2-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(3-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;N-[(4-morpholin-4-ylphenyl)methyl]-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-(pyridin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide;12-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-10-carboxamide is sourced from PubChem (CID 162258403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).