ChemSpider 2D Image | 1-(3-Fluorophenyl)-N-{2-[(4-methylbenzyl)sulfanyl]ethyl}-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxamide | C20H18F4N4OS

1-(3-Fluorophenyl)-N-{2-[(4-methylbenzyl)sulfanyl]ethyl}-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC20H18F4N4OS
  • Average mass438.442 Da
  • Monoisotopic mass438.113739 Da
  • ChemSpider ID34377158

More details:

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

1-(3-Fluorophenyl)-N-{2-[(4-methylbenzyl)sulfanyl]ethyl}-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-(3-Fluorophényl)-N-{2-[(4-méthylbenzyl)sulfanyl]éthyl}-5-(trifluorométhyl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(3-Fluorphenyl)-N-{2-[(4-methylbenzyl)sulfanyl]ethyl}-5-(trifluormethyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-(3-fluorophenyl)-N-[2-[[(4-methylphenyl)methyl]thio]ethyl]-5-(trifluoromethyl)- [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: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.48
ACD/KOC (pH 5.5): 2967.33
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 439.28
ACD/KOC (pH 7.4): 2614.92
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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