ChemSpider 2D Image | 5-{[(2R,3R)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenyl-1-piperidinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one | C23H22F6N4O2

5-{[(2R,3R)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenyl-1-piperidinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC23H22F6N4O2
  • Average mass500.437 Da
  • Monoisotopic mass500.164703 Da
  • ChemSpider ID7981746

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3H-1,2,4-Triazol-3-one, 5-[[(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-1-piperidinyl]methyl]-1,2-dihydro- [ACD/Index Name]
5-{[(2R,3R)-3-{[3,5-Bis(trifluormethyl)benzyl]oxy}-2-phenyl-1-piperidinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-{[(2R,3R)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenyl-1-piperidinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-{[(2R,3R)-3-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-2-phényl-1-pipéridinyl]méthyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
187724-85-2 [RN]
L 741671

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 55.12
ACD/KOC (pH 5.5): 373.77
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 293.90
ACD/KOC (pH 7.4): 1993.11
Polar Surface Area: 66 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 345.2±7.0 cm3

Click to predict properties on the Chemicalize site


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