ChemSpider 2D Image | 2-[(3-Chlorophenyl)(2-cyanoethyl)amino]-2-oxoethyl [5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acetate | C21H16ClFN4O5

2-[(3-Chlorophenyl)(2-cyanoethyl)amino]-2-oxoethyl [5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acetate

  • Molecular FormulaC21H16ClFN4O5
  • Average mass458.827 Da
  • Monoisotopic mass458.079315 Da
  • ChemSpider ID33116000

More details:

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

[5-(4-Fluorophényl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acétate de 2-[(3-chlorophényl)(2-cyanoéthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
1,3,4-Oxadiazole-3(2H)-acetic acid, 5-(4-fluorophenyl)-2-oxo-, 2-[(3-chlorophenyl)(2-cyanoethyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(3-Chlorophenyl)(2-cyanoethyl)amino]-2-oxoethyl [5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
2-[(3-Chlorphenyl)(2-cyanethyl)amino]-2-oxoethyl-[5-(4-fluorphenyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acetat [German] [ACD/IUPAC 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: 623.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.0±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.89
ACD/KOC (pH 5.5): 433.38
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.89
ACD/KOC (pH 7.4): 433.38
Polar Surface Area: 112 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 324.9±7.0 cm3

Click to predict properties on the Chemicalize site


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