AC1MVFMK

methyl 2-[[11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]sulfanyl]benzoate

Also Known As: KS-00003A96|5R-1322|methyl 2-({7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)benzenecarboxylate|methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate|Methyl 2-[[11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]sulfanyl]benzoate|Methyl 2-[[7,9-dimethyl-2-[[(4-methylphenyl)methyl]thio]pyrido[3a(2),2a(2):4,5]thieno[3,2-d]pyrimidin-4-yl]thio]benzoate|methyl2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate

Molecular Formula	C27H23N3O2S3
Molecular Weight	517.0952 g/mol
LogP	7.39486
Topological Polar Surface Area	64.97 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	517.0952
Monoisotopic Mass	517.0952
Heavy Atoms	35
Complexity	1562.3539

Chemical Identifiers

CAS Number	439110-64-2
SMILES	CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)SC4=CC=CC=C4C(=O)OC)SC5=C3C(=CC(=N5)C)C