AC1NRCRB

ethyl 1-[5-cyano-1-ethyl-4-methyl-6-oxo-3-[[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-pyridinyl]piperidine-4-carboxylate

Also Known As: Ethyl 1-(5-cyano-1-ethyl-4-methyl-6-oxo-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,6-dihydropyridin-2-yl)piperidine-4-carboxylate|ethyl 1-[5-cyano-1-ethyl-4-methyl-6-oxo-3-[(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridin-2-yl]piperidine-4-carboxylate|Ethyl 1-[5-cyano-1-ethyl-4-methyl-6-oxo-3-[[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridin-2-yl]piperidine-4-carboxylate

Molecular Formula	C29H32N4O4S2
Molecular Weight	564.1865 g/mol
LogP	4.2717
Topological Polar Surface Area	95.64 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	564.1865
Monoisotopic Mass	564.1865
Heavy Atoms	39
Complexity	1403.0916

Chemical Identifiers

CAS Number	7063-79-8
SMILES	CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)N4CCC(CC4)C(=O)OCC