AC1NRAV9

6-(4-benzylpiperidin-1-yl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile

Also Known As: 6-(4-benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile|6-(4-Benzylpiperidin-1-yl)-5-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|6-(4-benzylpiperidin-1-yl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile

Molecular Formula	C35H34N6O3S2
Molecular Weight	650.2134 g/mol
LogP	5.22812
Topological Polar Surface Area	96.27 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	650.2134
Monoisotopic Mass	650.2134
Heavy Atoms	46
Complexity	2046.111

Chemical Identifiers

CAS Number	7063-25-4
SMILES	CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N5CCC(CC5)CC6=CC=CC=C6)C)C#N