ChemSpider 2D Image | 2-({(1,3-Benzodioxol-5-ylmethyl)[4-(trifluoromethyl)benzyl]amino}methyl)-N-[2-(2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide | C28H25F3N4O4

2-({(1,3-Benzodioxol-5-ylmethyl)[4-(trifluoromethyl)benzyl]amino}methyl)-N-[2-(2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID22674382

More details:

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

2-({(1,3-Benzodioxol-5-ylmethyl)[4-(trifluormethyl)benzyl]amino}methyl)-N-[2-(2-pyridinyl)ethyl]-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
2-({(1,3-Benzodioxol-5-ylmethyl)[4-(trifluoromethyl)benzyl]amino}methyl)-N-[2-(2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
2-({(1,3-Benzodioxol-5-ylméthyl)[4-(trifluorométhyl)benzyl]amino}méthyl)-N-[2-(2-pyridinyl)éthyl]-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolecarboxamide, 2-[[(1,3-benzodioxol-5-ylmethyl)[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-[2-(2-pyridinyl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 202.68
ACD/KOC (pH 5.5): 1307.58
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 372.77
ACD/KOC (pH 7.4): 2404.89
Polar Surface Area: 90 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

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