ChemSpider 2D Image | Ethyl N-{[3-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)-2-pyridinyl]carbamoyl}-N-propyl-beta-alaninate | C23H27F3N4O5

Ethyl N-{[3-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)-2-pyridinyl]carbamoyl}-N-propyl-β-alaninate

  • Molecular FormulaC23H27F3N4O5
  • Average mass496.479 Da
  • Monoisotopic mass496.193359 Da
  • ChemSpider ID65975984

More details:

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

Ethyl N-{[3-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)-2-pyridinyl]carbamoyl}-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[3-(2-oxo-2-{[3-(trifluormethyl)phenyl]amino}ethoxy)-2-pyridinyl]carbamoyl}-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
N-{[3-(2-Oxo-2-{[3-(trifluorométhyl)phényl]amino}éthoxy)-2-pyridinyl]carbamoyl}-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[[3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]-2-pyridinyl]amino]carbonyl]-N-propyl-, ethyl ester [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: 693.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 404.61
ACD/KOC (pH 5.5): 2498.45
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.25
ACD/KOC (pH 7.4): 2706.17
Polar Surface Area: 110 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 377.0±3.0 cm3

Click to predict properties on the Chemicalize site


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