ChemSpider 2D Image | 2-[(4-Butyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide | C14H16ClN5O4S

2-[(4-Butyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide

  • Molecular FormulaC14H16ClN5O4S
  • Average mass385.826 Da
  • Monoisotopic mass385.061157 Da
  • ChemSpider ID31259870

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(4-Butyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlor-4-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-[(4-Butyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide [ACD/IUPAC Name]
2-[(4-Butyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-nitrophenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 94.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.08
ACD/KOC (pH 5.5): 487.27
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.71
ACD/KOC (pH 7.4): 79.63
Polar Surface Area: 145 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 248.7±7.0 cm3

Click to predict properties on the Chemicalize site


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