AC1NRG0E

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-6-(4-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile

Also Known As: 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-6-(4-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile|1-butyl-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-4-methyl-6-(4-methyl-1-piperidyl)-2-oxo-pyridine-3-carbonitrile|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-6-(4-methylpiperidin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

Molecular Formula	C32H36N6O3S2
Molecular Weight	616.229 g/mol
LogP	5.26842
Topological Polar Surface Area	96.27 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	616.229
Monoisotopic Mass	616.229
Heavy Atoms	43
Complexity	1786.364

Chemical Identifiers

CAS Number	7064-76-8
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)C