ChemSpider 2D Image | 1-(4-Fluorophenyl)-5-(2-thienyl)-N-{2-[(2,2,2-trifluoroethyl)carbamoyl]phenyl}-1H-1,2,4-triazole-3-carboxamide | C22H15F4N5O2S

1-(4-Fluorophenyl)-5-(2-thienyl)-N-{2-[(2,2,2-trifluoroethyl)carbamoyl]phenyl}-1H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC22H15F4N5O2S
  • Average mass489.445 Da
  • Monoisotopic mass489.088257 Da
  • ChemSpider ID70827467

More details:

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

1-(4-Fluorophenyl)-5-(2-thienyl)-N-{2-[(2,2,2-trifluoroethyl)carbamoyl]phenyl}-1H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
1-(4-Fluorophényl)-5-(2-thiényl)-N-{2-[(2,2,2-trifluoroéthyl)carbamoyl]phényl}-1H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-5-(2-thienyl)-N-{2-[(2,2,2-trifluorethyl)carbamoyl]phenyl}-1H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxamide, 1-(4-fluorophenyl)-5-(2-thienyl)-N-[2-[[(2,2,2-trifluoroethyl)amino]carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 739.61
ACD/KOC (pH 5.5): 3937.14
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.35
ACD/KOC (pH 7.4): 3813.35
Polar Surface Area: 117 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 328.0±7.0 cm3

Click to predict properties on the Chemicalize site


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