ChemSpider 2D Image | 5-{[(2S,3S)-2-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-3-phenyl-4-morpholinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one | C22H20F6N4O3

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

  • Molecular FormulaC22H20F6N4O3
  • Average mass502.410 Da
  • Monoisotopic mass502.143951 Da
  • ChemSpider ID4470729
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

159706-39-5 [RN]
3H-1,2,4-Triazol-3-one, 5-[[(2S,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro- [ACD/Index Name]
5-[[(2S,3S)-2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-{[(2S,3S)-2-{[3,5-Bis(trifluormethyl)benzyl]oxy}-3-phenyl-4-morpholinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-{[(2S,3S)-2-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-3-phenyl-4-morpholinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-{[(2S,3S)-2-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-3-phényl-4-morpholinyl]méthyl}-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
3H-1,2,4-TRIAZOL-3-ONE,5-[[(2S,3S)-2-[[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHOXY]-3-PHENYL-4-MORPHOLINYL]METHYL]-1,2-DIHYDRO-
5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-3-phenylmorpholino)methyl)-2H-1,2,4-triazol-3(4H)-one
5-[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
L 742694
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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: 1.574
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 101.71
ACD/KOC (pH 5.5): 941.09
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.54
ACD/KOC (pH 7.4): 967.19
Polar Surface Area: 75 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 335.6±7.0 cm3

Click to predict properties on the Chemicalize site






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