AC1NREAL

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

Also Known As: 6-(4-benzylpiperazin-1-yl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile|6-(4-Benzylpiperazin-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}-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile

Molecular Formula	C36H37N7O3S2
Molecular Weight	679.2399 g/mol
LogP	4.96422
Topological Polar Surface Area	99.51 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	679.2399
Monoisotopic Mass	679.2399
Heavy Atoms	48
Complexity	2084.0332

Chemical Identifiers

CAS Number	7064-27-9
SMILES	CCCN1C(=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)N5CCN(CC5)CC6=CC=CC=C6