ChemSpider 2D Image | 2-{[4-Benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,2,2-trifluoroethyl)propanamide | C20H18F4N4OS

2-{[4-Benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,2,2-trifluoroethyl)propanamide

  • Molecular FormulaC20H18F4N4OS
  • Average mass438.442 Da
  • Monoisotopic mass438.113739 Da
  • ChemSpider ID23744510

More details:

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

2-{[4-Benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,2,2-trifluoroethyl)propanamide [ACD/IUPAC Name]
2-{[4-Benzyl-5-(4-fluorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,2,2-trifluoroéthyl)propanamide [French] [ACD/IUPAC Name]
2-{[4-Benzyl-5-(4-fluorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,2,2-trifluorethyl)propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[5-(4-fluorophenyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2,2-trifluoroethyl)- [ACD/Index Name]

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: 1.591
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 562.62
ACD/KOC (pH 5.5): 3237.44
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 562.62
ACD/KOC (pH 7.4): 3237.47
Polar Surface Area: 85 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 321.6±7.0 cm3

Click to predict properties on the Chemicalize site


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