6-(4-Benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile

Base Information

• Chemical Name: 6-(4-Benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
• CAS No.: 7063-65-2
• Molecular Formula: C14H21 N O . Cl H
• Molecular Weight: 563.734
• DSSTox Substance ID: DTXSID90414359
• Mol file: 7063-65-2.mol

Synonyms:7063-65-2;AC1NRC9F;DTXSID90414359

Chemical Property of 6-(4-Benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.21E-13mmHg at 25°C
• Boiling Point: 584.4°C at 760 mmHg
• Flash Point: 307.2°C
• Density: 1.38g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 563.20248228
• Heavy Atom Count: 39
• Complexity: 1150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5