ChemSpider 2D Image | 2-{[(3-Chlorobenzyl)(4-fluorobenzyl)amino]methyl}-N-(4-fluorobenzyl)-1,3-oxazole-4-carboxamide | C26H22ClF2N3O2

2-{[(3-Chlorobenzyl)(4-fluorobenzyl)amino]methyl}-N-(4-fluorobenzyl)-1,3-oxazole-4-carboxamide

  • Molecular FormulaC26H22ClF2N3O2
  • Average mass481.922 Da
  • Monoisotopic mass481.136871 Da
  • ChemSpider ID22648737

More details:

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

2-{[(3-Chlorbenzyl)(4-fluorbenzyl)amino]methyl}-N-(4-fluorbenzyl)-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
2-{[(3-Chlorobenzyl)(4-fluorobenzyl)amino]methyl}-N-(4-fluorobenzyl)-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
2-{[(3-Chlorobenzyl)(4-fluorobenzyl)amino]méthyl}-N-(4-fluorobenzyl)-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolecarboxamide, 2-[[[(3-chlorophenyl)methyl][(4-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2394.60
ACD/KOC (pH 5.5): 8477.40
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3096.44
ACD/KOC (pH 7.4): 10962.04
Polar Surface Area: 58 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 364.9±3.0 cm3

Click to predict properties on the Chemicalize site


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