ChemSpider 2D Image | N-[(1S)-1-{5-[(4-Fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl]-2-(trifluoromethyl)benzamide | C20H18F4N4OS

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

  • Molecular FormulaC20H18F4N4OS
  • Average mass438.442 Da
  • Monoisotopic mass438.113739 Da
  • ChemSpider ID35034736

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-[5-[[(4-fluorophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]ethyl]-2-(trifluoromethyl)- [ACD/Index Name]
N-[(1S)-1-{5-[(4-Fluorbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl]-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[(1S)-1-{5-[(4-Fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl]-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[(1S)-1-{5-[(4-Fluorobenzyl)sulfanyl]-4-méthyl-4H-1,2,4-triazol-3-yl}éthyl]-2-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[1-(5-{[(4-Fluorophenyl)methyl]sulfanyl}-4-Methyl-4h-1,2,4-Triazol-3-Yl)ethyl]-2-(Trifluoromethyl)benzamide
ZVU

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: 1.592
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1041.53
ACD/KOC (pH 5.5): 5030.78
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1041.63
ACD/KOC (pH 7.4): 5031.27
Polar Surface Area: 85 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 320.8±7.0 cm3

Click to predict properties on the Chemicalize site


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