AC1NRGDP

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

Also Known As: 6-(4-benzylpiperidin-1-yl)-1-butyl-5-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile|6-(4-Benzylpiperidin-1-yl)-1-butyl-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}-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Molecular Formula	C38H40N6O3S2
Molecular Weight	692.2603 g/mol
LogP	6.49122
Topological Polar Surface Area	96.27 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	692.2603
Monoisotopic Mass	692.2603
Heavy Atoms	49
Complexity	2099.2732

Chemical Identifiers

CAS Number	7064-88-2
SMILES	CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N5CCC(CC5)CC6=CC=CC=C6