AC1NREPU

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

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

Molecular Formula	C30H34N4O4S2
Molecular Weight	578.20215 g/mol
LogP	4.92772
Topological Polar Surface Area	95.64 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	578.20215
Monoisotopic Mass	578.20215
Heavy Atoms	40
Complexity	1456.0228

Chemical Identifiers

CAS Number	7064-39-3
SMILES	CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=C(C=C3)C)N4CCCC(C4)C(=O)OCC