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Search term: HPWGEIKPIJCWJG (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5-Amino-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide | C22H19F3N6O2

5-Amino-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC22H19F3N6O2
  • Average mass456.421 Da
  • Monoisotopic mass456.152161 Da
  • ChemSpider ID21778327

More details:






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

1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methyl]-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-Amino-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[4-(trifluormethyl)phenyl]-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-{[5-méthyl-2-(3-méthylphényl)-1,3-oxazol-4-yl]méthyl}-N-[4-(trifluorométhyl)phényl]-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
5-Amino-1-(5-methyl-2-m-tolyl-oxazol-4-ylmethyl)-1H-[1,2,3]triazole-4-carboxylic acid (4-trifluoromethyl-phenyl)-amide

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: 1.643
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.00
ACD/KOC (pH 5.5): 1292.52
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.54
ACD/KOC (pH 7.4): 1280.39
Polar Surface Area: 112 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 314.9±7.0 cm3

Click to predict properties on the Chemicalize site






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