N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide

Base Information

• Chemical Name: N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide
• CAS No.: 5977-74-2
• Molecular Formula: C26H34N4OS
• Molecular Weight: 450.6394
• DSSTox Substance ID: DTXSID40411590

Synonyms:5977-74-2;DTXSID40411590;N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide

Chemical Property of N-{[5-(Benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylhexanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.11g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 450.24533289
• Heavy Atom Count: 32
• Complexity: 567

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC(C)CC(C)(C)C

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