ChemSpider 2D Image | 2-{[5-(1H-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide | C25H23N7OS

2-{[5-(1H-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide

  • Molecular FormulaC25H23N7OS
  • Average mass469.561 Da
  • Monoisotopic mass469.168488 Da
  • ChemSpider ID21601676

More details:

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

2-{[5-(1H-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[5-(1H-Benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-{[5-(1H-Benzotriazol-1-ylméthyl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-diméthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethylphenyl)- [ACD/Index Name]
2-(5-Benzotriazol-1-ylmethyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,5-dimethyl-phenyl)-acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1261.46
ACD/KOC (pH 5.5): 5770.12
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1261.64
ACD/KOC (pH 7.4): 5770.96
Polar Surface Area: 116 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 347.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement