ChemSpider 2D Image | Methyl 3-({[(5-propyl-1,2-oxazol-3-yl)carbonyl]amino}methyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzoate | C24H22F3N3O5

Methyl 3-({[(5-propyl-1,2-oxazol-3-yl)carbonyl]amino}methyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzoate

  • Molecular FormulaC24H22F3N3O5
  • Average mass489.444 Da
  • Monoisotopic mass489.151154 Da
  • ChemSpider ID22250042

More details:

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

3-({[(5-Propyl-1,2-oxazol-3-yl)carbonyl]amino}méthyl)-5-{[3-(trifluorométhyl)benzoyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(5-propyl-3-isoxazolyl)carbonyl]amino]methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-({[(5-propyl-1,2-oxazol-3-yl)carbonyl]amino}methyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzoate [ACD/IUPAC Name]
Methyl-3-({[(5-propyl-1,2-oxazol-3-yl)carbonyl]amino}methyl)-5-{[3-(trifluormethyl)benzoyl]amino}benzoat [German] [ACD/IUPAC Name]
methyl 3-({[(5-propyl-3-isoxazolyl)carbonyl]amino}methyl)-5-{[3-(trifluoromethyl)benzoyl]amino}benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 859.74
ACD/KOC (pH 5.5): 4385.53
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 859.74
ACD/KOC (pH 7.4): 4385.49
Polar Surface Area: 111 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 366.1±3.0 cm3

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