ChemSpider 2D Image | Ethyl 4-{[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino}-1-piperidinecarboxylate | C23H24ClFN4O3

Ethyl 4-{[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino}-1-piperidinecarboxylate

  • Molecular FormulaC23H24ClFN4O3
  • Average mass458.913 Da
  • Monoisotopic mass458.152100 Da
  • ChemSpider ID21908461

More details:

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

1-Piperidinecarboxylic acid, 4-[[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-, ethyl ester [ACD/Index Name]
4-{[(2-Chloro-4-fluorophényl)(5-phényl-1,3,4-oxadiazol-2-yl)méthyl]amino}-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[(2-chlor-4-fluorphenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-{[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino}piperidine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.9±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.23
ACD/KOC (pH 5.5): 2183.59
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 326.95
ACD/KOC (pH 7.4): 2195.13
Polar Surface Area: 80 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 338.6±5.0 cm3

Click to predict properties on the Chemicalize site


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