AC1MYEQ9

N-benzhydryl-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanamide

Also Known As: AG-205/11552252|N-(diphenylmethyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide|N-(diphenylmethyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]propanamide|N-benzhydryl-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide|N-benzhydryl-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

Molecular Formula	C31H27N3O2S2
Molecular Weight	537.1545 g/mol
LogP	6.3223
Topological Polar Surface Area	63.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	537.1545
Monoisotopic Mass	537.1545
Heavy Atoms	38
Complexity	1607.949

Chemical Identifiers

CAS Number	337475-88-4
SMILES	CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(C5=C(S4)CCC5)C(=O)N3C6=CC=CC=C6