Ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate
• CAS No.: 7063-39-0
• Molecular Formula: C13H17 N O2 . Br H
• Molecular Weight: 580.7182
• DSSTox Substance ID: DTXSID00414325
• Mol file: 7063-39-0.mol

Synonyms:7063-39-0;AC1NRBC3;DTXSID00414325

Chemical Property of Ethyl 1-[5-cyano-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.53E-14mmHg at 25°C
• Boiling Point: 599.3°C at 760 mmHg
• Flash Point: 316.3°C
• Density: 1.37g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 580.18141248
• Heavy Atom Count: 40
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCN(C1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC