ChemSpider 2D Image | Ethyl 4-(4-chlorophenyl)-1-[4-(hexylcarbamoyl)benzyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C29H35ClN2O4

Ethyl 4-(4-chlorophenyl)-1-[4-(hexylcarbamoyl)benzyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID4220000

More details:

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

3-Pyridinecarboxylic acid, 4-(4-chlorophenyl)-1-[[4-[(hexylamino)carbonyl]phenyl]methyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester [ACD/Index Name]
4-(4-Chlorophényl)-1-[4-(hexylcarbamoyl)benzyl]-2-méthyl-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-chlorophenyl)-1-[4-(hexylcarbamoyl)benzyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-chlorphenyl)-1-[4-(hexylcarbamoyl)benzyl]-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: 686.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65343.62
ACD/KOC (pH 5.5): 97342.66
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65343.62
ACD/KOC (pH 7.4): 97342.66
Polar Surface Area: 76 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 434.7±3.0 cm3

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