ChemSpider 2D Image | 3-{[2-{1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-5-oxo-2,5-dihydro-1,2,4-triazol-1-ido | C23H20F7N4O3

3-{[2-{1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-5-oxo-2,5-dihydro-1,2,4-triazol-1-ido

  • Molecular FormulaC23H20F7N4O3
  • Average mass533.419 Da
  • Monoisotopic mass533.142883 Da
  • ChemSpider ID21240668
  • Charge - Charge


More details:






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

3-{[2-{1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}-3-(4-fluorphenyl)-4-morpholinyl]methyl}-5-oxo-2,5-dihydro-1,2,4-triazol-1-id [German] [ACD/IUPAC Name]
3-{[2-{1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}-3-(4-fluorophényl)-4-morpholinyl]méthyl}-5-oxo-2,5-dihydro-1,2,4-triazol-1-ide [French] [ACD/IUPAC Name]
3-{[2-{1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-5-oxo-2,5-dihydro-1,2,4-triazol-1-ido [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-onato, 5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, ion(1-) [ACD/Index Name]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 203.99
ACD/KOC (pH 5.5): 1550.53
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.79
ACD/KOC (pH 7.4): 1587.02
Polar Surface Area: 63 Å2
Polarizability:
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Molar Volume:

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