ChemSpider 2D Image | 5-[(2-{1-[4-Fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-phenyl-4-morpholinyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one | C23H21F7N4O3

5-[(2-{1-[4-Fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-phenyl-4-morpholinyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC23H21F7N4O3
  • Average mass534.427 Da
  • Monoisotopic mass534.150208 Da
  • ChemSpider ID8341044

More details:






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

3H-1,2,4-Triazol-3-one, 5-[[2-[1-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro- [ACD/Index Name]
5-[(2-{1-[4-Fluor-3,5-bis(trifluormethyl)phenyl]ethoxy}-3-phenyl-4-morpholinyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-[(2-{1-[4-Fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-phenyl-4-morpholinyl)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-[(2-{1-[4-Fluoro-3,5-bis(trifluorométhyl)phényl]éthoxy}-3-phényl-4-morpholinyl)méthyl]-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.58
ACD/KOC (pH 5.5): 1519.36
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.98
ACD/KOC (pH 7.4): 1560.69
Polar Surface Area: 75 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 353.6±7.0 cm3

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