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

Base Information

• Chemical Name: 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
• CAS No.: 7063-79-8
• Molecular Formula: C29H32N4O4S2
• Molecular Weight: 564.7188
• DSSTox Substance ID: DTXSID00990851

Synonyms:7063-79-8;DTXSID00990851;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

Chemical Property of 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

Chemical Property:

• Vapor Pressure: 1.4E-13mmHg at 25°C
• Boiling Point: 583°Cat760mmHg
• Flash Point: 306.4°C
• Density: 1.35g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 564.18649786
• Heavy Atom Count: 39
• Complexity: 1170

Purity/Quality:

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• Canonical 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

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