ChemSpider 2D Image | N-{(1S)-1-[4-(4-Fluorobenzyl)-5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}-2-(trifluoromethyl)benzamide | C27H23F5N4O2S

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

  • Molecular FormulaC27H23F5N4O2S
  • Average mass562.554 Da
  • Monoisotopic mass562.146179 Da
  • ChemSpider ID35034738

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

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: 1.589
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14994.28
ACD/KOC (pH 5.5): 33939.39
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14995.52
ACD/KOC (pH 7.4): 33942.18
Polar Surface Area: 94 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 414.7±7.0 cm3

Click to predict properties on the Chemicalize site


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