AC1NRH76

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

Molecular Formula	C36H47N5O4S2
Molecular Weight	677.30695 g/mol
LogP	6.9518
Topological Polar Surface Area	109.88 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	677.30695
Monoisotopic Mass	677.30695
Heavy Atoms	47
Complexity	1541.0736

Chemical Identifiers

CAS Number	7065-10-3
SMILES	CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)N3CCN(CC3)C4=CC=CC=C4