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

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

  • Molecular FormulaC23H22F6N4O2
  • Average mass500.437 Da
  • Monoisotopic mass500.164703 Da
  • ChemSpider ID8204496

More details:

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

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

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: 1.561
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 639.85
ACD/KOC (pH 5.5): 3549.72
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 639.76
ACD/KOC (pH 7.4): 3549.17
Polar Surface Area: 57 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 356.6±7.0 cm3

Click to predict properties on the Chemicalize site


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