5-Acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 5-Acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile
• CAS No.: 5602-66-4
• Molecular Formula: C21H23ClN2O2S
• Molecular Weight: 402.9375
• DSSTox Substance ID: DTXSID70386181
• ChEMBL ID: CHEMBL1441242

Synonyms:SMR000140524;5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile;5602-66-4;MLS000533086;CHEMBL1441242;DTXSID70386181;HMS2507E23;STK017443;AKOS005378038;5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-4-isobutyl-6-methyl-1,4-dihydro-3-pyridinecarbonitrile

Chemical Property of 5-Acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 6.13E-13mmHg at 25°C
• Boiling Point: 568.5°Cat760mmHg
• Flash Point: 297.6°C
• Density: 1.24g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 402.1168768
• Heavy Atom Count: 27
• Complexity: 709

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)CC(C)C)C(=O)C

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