AC1NRG8D

11-[5-[[1-butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Also Known As: 11-(5-{[1-Butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid|11-[5-[[1-butyl-5-cyano-4-methyl-2-(4-methylpiperazin-1-yl)-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Molecular Formula	C31H45N5O4S2
Molecular Weight	615.2913 g/mol
LogP	5.377
Topological Polar Surface Area	109.88 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	16
Exact Mass	615.2913
Monoisotopic Mass	615.2913
Heavy Atoms	42
Complexity	1261.2462

Chemical Identifiers

CAS Number	7064-83-7
SMILES	CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)N3CCN(CC3)C