11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine

C115H121Cl3FN21OS6 — CID 159204226

IUPAC11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
SMILESCOc1ccc(CNC2=NCc3c2sc2nc(C)c(Cl)c(C)c32)cc1.Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)c(C)c3)nn(C)c12.Cc1cc(C)cc(CNC2=NCc3c2sc2nc(C)c(Cl)c(C)c32)c1.Cc1cc(C)cc(CNc2nn(C)c3c2sc2nc(C)ccc23)c1.Cc1ccc(CNc2nn(C)c3c2sc2nc(C)cc(C)c23)c(C)c1.Cc1nc2sc3c(c2c(C)c1Cl)CN=C3NCC1CCCCC1
InChIInChI=1S/C20H20ClN3S.C20H22N4S.C19H18ClN3OS.C19H19FN4S.C19H20N4S.C18H22ClN3S/c1-10-5-11(2)7-14(6-10)8-22-19-18-15(9-23-19)16-12(3)17(21)13(4)24-20(16)25-18;1-11-6-7-15(12(2)8-11)10-21-19-18-17(24(5)23-19)16-13(3)9-14(4)22-20(16)25-18;1-10-15-14-9-22-18(17(14)25-19(15)23-11(2)16(10)20)21-8-12-4-6-13(24-3)7-5-12;1-10-8-13(5-6-14(10)20)9-21-18-17-16(24(4)23-18)15-11(2)7-12(3)22-19(15)25-17;1-11-7-12(2)9-14(8-11)10-20-18-17-16(23(4)22-18)15-6-5-13(3)21-19(15)24-17;1-10-14-13-9-21-17(20-8-12-6-4-3-5-7-12)16(13)23-18(14)22-11(2)15(10)19/h5-7H,8-9H2,1-4H3,(H,22,23);6-9H,10H2,1-5H3,(H,21,23);4-7H,8-9H2,1-3H3,(H,21,22);5-8H,9H2,1-4H3,(H,21,23);5-9H,10H2,1-4H3,(H,20,22);12H,3-9H2,1-2H3,(H,20,21)
InChIKeyKPRAMSIMFBOYFK-UHFFFAOYSA-N
MW2131.14 g/mol
LogP29.46
Rot. Bonds16

About 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine

11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine (PubChem CID 159204226) has the molecular formula C115H121Cl3FN21OS6 and a molecular weight of 2131.14 g/mol. Its IUPAC name is 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine.

Molecular Properties

Compound Name11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
PubChem CID159204226
Molecular FormulaC115H121Cl3FN21OS6
Molecular Weight2131.14 g/mol
Exact Mass2127.74
IUPAC Name11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
SMILESCOc1ccc(CNC2=NCc3c2sc2nc(C)c(Cl)c(C)c32)cc1.Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)c(C)c3)nn(C)c12.Cc1cc(C)cc(CNC2=NCc3c2sc2nc(C)c(Cl)c(C)c32)c1.Cc1cc(C)cc(CNc2nn(C)c3c2sc2nc(C)ccc23)c1.Cc1ccc(CNc2nn(C)c3c2sc2nc(C)cc(C)c23)c(C)c1.Cc1nc2sc3c(c2c(C)c1Cl)CN=C3NCC1CCCCC1
InChIInChI=1S/C20H20ClN3S.C20H22N4S.C19H18ClN3OS.C19H19FN4S.C19H20N4S.C18H22ClN3S/c1-10-5-11(2)7-14(6-10)8-22-19-18-15(9-23-19)16-12(3)17(21)13(4)24-20(16)25-18;1-11-6-7-15(12(2)8-11)10-21-19-18-17(24(5)23-19)16-13(3)9-14(4)22-20(16)25-18;1-10-15-14-9-22-18(17(14)25-19(15)23-11(2)16(10)20)21-8-12-4-6-13(24-3)7-5-12;1-10-8-13(5-6-14(10)20)9-21-18-17-16(24(4)23-18)15-11(2)7-12(3)22-19(15)25-17;1-11-7-12(2)9-14(8-11)10-20-18-17-16(23(4)22-18)15-6-5-13(3)21-19(15)24-17;1-10-14-13-9-21-17(20-8-12-6-4-3-5-7-12)16(13)23-18(14)22-11(2)15(10)19/h5-7H,8-9H2,1-4H3,(H,22,23);6-9H,10H2,1-5H3,(H,21,23);4-7H,8-9H2,1-3H3,(H,21,22);5-8H,9H2,1-4H3,(H,21,23);5-9H,10H2,1-4H3,(H,20,22);12H,3-9H2,1-2H3,(H,20,21)
InChIKeyKPRAMSIMFBOYFK-UHFFFAOYSA-N
XLogP29.46
TPSA249.29 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002131.14
LogP ≤ 529.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
The IUPAC name of 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine (CID 159204226) is 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine.
What is the SMILES notation for 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
The canonical SMILES for 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine is COc1ccc(CNC2=NCc3c2sc2nc(C)c(Cl)c(C)c32)cc1.Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)c(C)c3)nn(C)c12.Cc1cc(C)cc(CNC2=NCc3c2sc2nc(C)c(Cl)c(C)c32)c1.Cc1cc(C)cc(CNc2nn(C)c3c2sc2nc(C)ccc23)c1.Cc1ccc(CNc2nn(C)c3c2sc2nc(C)cc(C)c23)c(C)c1.Cc1nc2sc3c(c2c(C)c1Cl)CN=C3NCC1CCCCC1.
What is the InChIKey of 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
The InChIKey is KPRAMSIMFBOYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3S.C20H22N4S.C19H18ClN3OS.C19H19FN4S.C19H20N4S.C18H22ClN3S/c1-10-5-11(2)7-14(6-10)8-22-19-18-15(9-23-19)16-12(3)17(21)13(4)24-20(16)25-18;1-11-6-7-15(12(2)8-11)10-21-19-18-17(24(5)23-19)16-13(3)9-14(4)22-20(16)25-18;1-10-15-14-9-22-18(17(14)25-19(15)23-11(2)16(10)20)21-8-12-4-6-13(24-3)7-5-12;1-10-8-13(5-6-14(10)20)9-21-18-17-16(24(4)23-18)15-11(2)7-12(3)22-19(15)25-17;1-11-7-12(2)9-14(8-11)10-20-18-17-16(23(4)22-18)15-6-5-13(3)21-19(15)24-17;1-10-14-13-9-21-17(20-8-12-6-4-3-5-7-12)16(13)23-18(14)22-11(2)15(10)19/h5-7H,8-9H2,1-4H3,(H,22,23);6-9H,10H2,1-5H3,(H,21,23);4-7H,8-9H2,1-3H3,(H,21,22);5-8H,9H2,1-4H3,(H,21,23);5-9H,10H2,1-4H3,(H,20,22);12H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine has a molecular weight of 2131.14 g/mol, XLogP of 29.46, 16 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N-(cyclohexylmethyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(3,5-dimethylphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;11-chloro-N-[(4-methoxyphenyl)methyl]-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine;N-[(3,5-dimethylphenyl)methyl]-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(2,4-dimethylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-[(4-fluoro-3-methylphenyl)methyl]-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine is sourced from PubChem (CID 159204226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).