AC1LYMIP

methyl 4-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Also Known As: CBMicro_044385|BIM-0044351.P001|F0739-0005|SR-01000441989-1|methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate|4-(4-Oxo-3-phenyl-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid methyl ester|methyl 4-(((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate|methyl 4-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate|methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl}benzoate|methyl 4-[(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidi n-2-ylthio)methyl]benzoate|methyl p-[(4-oxo-3-phenyl-9-thia-1,3-diaza-3,4,5,6,7,8-hexahydro-2-fluorenylthio)methyl]benzoate

Molecular Formula	C25H22N2O3S2
Molecular Weight	462.10718 g/mol
LogP	5.4049
Topological Polar Surface Area	61.19 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	462.10718
Monoisotopic Mass	462.10718
Heavy Atoms	32
Complexity	1341.8724

Chemical Identifiers

CAS Number	6072-24-8
SMILES	COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5