ChemSpider 2D Image | Ethyl 4-(2,3-dimethoxyphenyl)-1-(4-fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C24H26FNO5

Ethyl 4-(2,3-dimethoxyphenyl)-1-(4-fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC24H26FNO5
  • Average mass427.465 Da
  • Monoisotopic mass427.179504 Da
  • ChemSpider ID21557960

More details:

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

3-Pyridinecarboxylic acid, 4-(2,3-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester [ACD/Index Name]
4-(2,3-Diméthoxyphényl)-1-(4-fluorobenzyl)-2-méthyl-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(2,3-dimethoxyphenyl)-1-(4-fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(2,3-dimethoxyphenyl)-1-(4-fluorbenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 375.90
ACD/KOC (pH 5.5): 2425.72
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 375.90
ACD/KOC (pH 7.4): 2425.72
Polar Surface Area: 65 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

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