ChemSpider 2D Image | Ethyl 4-[4-(benzyloxy)phenyl]-1-{2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C36H41N3O6

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

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID3153199

More details:

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

3-Pyridinecarboxylic acid, 1-[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-4-[4-(phenylmethoxy)phenyl]-, ethyl ester [ACD/Index Name]
4-[4-(Benzyloxy)phényl]-1-{2-[4-(2-éthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}-2-méthyl-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[4-(benzyloxy)phenyl]-1-{2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[4-(benzyloxy)phenyl]-1-{2-[4-(2-ethoxyphenyl)-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: 1.2±0.1 g/cm3
Boiling Point: 794.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 434.6±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 170.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7274.12
ACD/KOC (pH 5.5): 20213.66
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7286.27
ACD/KOC (pH 7.4): 20247.42
Polar Surface Area: 89 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 506.8±3.0 cm3

Click to predict properties on the Chemicalize site


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