ChemSpider 2D Image | Ethyl 1-(3-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}benzyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C36H39N3O6

Ethyl 1-(3-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}benzyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC36H39N3O6
  • Average mass609.711 Da
  • Monoisotopic mass609.283875 Da
  • ChemSpider ID29220446

More details:

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

1-(3-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]carbonyl}benzyl)-2-méthyl-4-(3-méthylphényl)-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]phenyl]methyl]-1,4,5,6-tetrahydro-2-methyl-4-(3-methylphenyl)-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}benzyl)-2-methyl-4-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(3-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}benzyl)-2-methyl-4-(3-methylphenyl)-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: 778.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.8±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 281.80
ACD/KOC (pH 5.5): 1122.59
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1900.85
ACD/KOC (pH 7.4): 7572.32
Polar Surface Area: 89 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 481.8±3.0 cm3

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