ChemSpider 2D Image | Ethyl 4-(4-chlorophenyl)-1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C28H32ClN3O5

Ethyl 4-(4-chlorophenyl)-1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC28H32ClN3O5
  • Average mass526.024 Da
  • Monoisotopic mass525.203064 Da
  • ChemSpider ID4184225

More details:

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

3-Pyridinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6-tetrahydro-1-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-2-methyl-6-oxo-, ethyl ester [ACD/Index Name]
4-(4-Chlorophényl)-1-{2-[4-(2-méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}-2-méthyl-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-chlorophenyl)-1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-chlorphenyl)-1-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-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: 1.3±0.1 g/cm3
Boiling Point: 714.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.0±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1045.73
ACD/KOC (pH 5.5): 5043.35
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1047.25
ACD/KOC (pH 7.4): 5050.67
Polar Surface Area: 79 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 417.6±3.0 cm3

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