N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide

Base Information

• Chemical Name: N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide
• CAS No.: 5548-76-5
• Molecular Formula: C21H19Cl2N5O2S
• Molecular Weight: 476.3789
• DSSTox Substance ID: DTXSID00410903

Synonyms:5548-76-5;AC1NQDB8;DTXSID00410903

Chemical Property of N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.39g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 475.0636514
• Heavy Atom Count: 31
• Complexity: 633

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CNC(=O)C=CC3=CC=CC=C3Cl

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