ChemSpider 2D Image | N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide | C21H20F4N4O2S

N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide

  • Molecular FormulaC21H20F4N4O2S
  • Average mass468.468 Da
  • Monoisotopic mass468.124298 Da
  • ChemSpider ID22245651

More details:






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

Benzamide, N-[1-[5-[[2-(4-fluorophenoxy)ethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]ethyl]-2-(trifluoromethyl)- [ACD/Index Name]
N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[1-(5-{[2-(4-Fluorophénoxy)éthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)éthyl]-2-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[1-(5-{[2-(4-Fluorphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[1-(5-{[2-(4-fluorophenoxy)ethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 114.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 581.17
ACD/KOC (pH 5.5): 3313.36
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.26
ACD/KOC (pH 7.4): 3313.89
Polar Surface Area: 94 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

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