ChemSpider 2D Image | N-[1-(4-Methyl-5-{[2-(2-Methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-Triazol-3-Yl)ethyl]-2-(Trifluoromethyl)benzamide | C22H23F3N4O2S

N-[1-(4-Methyl-5-{[2-(2-Methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-Triazol-3-Yl)ethyl]-2-(Trifluoromethyl)benzamide

  • Molecular FormulaC22H23F3N4O2S
  • Average mass464.504 Da
  • Monoisotopic mass464.149384 Da
  • ChemSpider ID35034737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-[4-methyl-5-[[2-(2-methylphenoxy)ethyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]-2-(trifluoromethyl)- [ACD/Index Name]
N-[(1S)-1-(4-Methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(4-Methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[(1S)-1-(4-Méthyl-5-{[2-(2-méthylphénoxy)éthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)éthyl]-2-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[1-(4-Methyl-5-{[2-(2-Methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-Triazol-3-Yl)ethyl]-2-(Trifluoromethyl)benzamide [ACD/IUPAC Name]
ZVV

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1218.81
ACD/KOC (pH 5.5): 5629.88
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1218.93
ACD/KOC (pH 7.4): 5630.41
Polar Surface Area: 94 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 355.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement