AC1NRCW2

6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Also Known As: 6-[5-[[5-cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid|6-(5-{[5-Cyano-1-ethyl-4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid

Molecular Formula	C29H33N5O4S2
Molecular Weight	579.1974 g/mol
LogP	4.2211
Topological Polar Surface Area	109.88 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	579.1974
Monoisotopic Mass	579.1974
Heavy Atoms	40
Complexity	1422.6234

Chemical Identifiers

CAS Number	7063-84-5
SMILES	CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)N3CCN(CC3)C4=CC=CC=C4