ChemSpider 2D Image | 2-({(4-Methoxybenzyl)[3-(trifluoromethyl)benzyl]amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide | C29H28F3N3O3

2-({(4-Methoxybenzyl)[3-(trifluoromethyl)benzyl]amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID22674458

More details:

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

2-({(4-Methoxybenzyl)[3-(trifluormethyl)benzyl]amino}methyl)-N-(1-phenylethyl)-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
2-({(4-Methoxybenzyl)[3-(trifluoromethyl)benzyl]amino}methyl)-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
2-({(4-Méthoxybenzyl)[3-(trifluorométhyl)benzyl]amino}méthyl)-N-(1-phényléthyl)-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolecarboxamide, 2-[[[(4-methoxyphenyl)methyl][[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(1-phenylethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 630.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.2±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4059.61
ACD/KOC (pH 5.5): 11824.53
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6134.37
ACD/KOC (pH 7.4): 17867.75
Polar Surface Area: 68 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 419.2±3.0 cm3

Click to predict properties on the Chemicalize site


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