AC1NRBA6

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

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

Molecular Formula	C28H30N4O4S2
Molecular Weight	550.17084 g/mol
LogP	3.7888
Topological Polar Surface Area	95.64 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	550.17084
Monoisotopic Mass	550.17084
Heavy Atoms	38
Complexity	1394.2893

Chemical Identifiers

CAS Number	7063-36-7
SMILES	CCOC(=O)C1CCCN(C1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4