AC1NRGEM

6-(4-benzylpiperazin-1-yl)-1-butyl-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile

Also Known As: 6-(4-benzylpiperazin-1-yl)-1-butyl-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile|6-(4-Benzylpiperazin-1-yl)-1-butyl-4-methyl-2-oxo-5-[(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile

Molecular Formula	C31H39N5O2S2
Molecular Weight	577.2545 g/mol
LogP	5.5421
Topological Polar Surface Area	72.58 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	577.2545
Monoisotopic Mass	577.2545
Heavy Atoms	40
Complexity	1354.5062

Chemical Identifiers

CAS Number	7064-89-3
SMILES	CCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCCC)N3CCN(CC3)CC4=CC=CC=C4)SC1=S