ChemSpider 2D Image | Ethyl 2-methyl-4-(3-methylphenyl)-1-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}benzyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C34H36N4O6

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

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID29220069

More details:

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

2-Méthyl-4-(3-méthylphényl)-1-(3-{[4-(4-nitrophényl)-1-pipérazinyl]carbonyl}benzyl)-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(3-methylphenyl)-1-[[3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]phenyl]methyl]-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-methyl-4-(3-methylphenyl)-1-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}benzyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-2-methyl-4-(3-methylphenyl)-1-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}benzyl)-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: 813.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.8±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3204.06
ACD/KOC (pH 5.5): 11245.15
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3204.33
ACD/KOC (pH 7.4): 11246.08
Polar Surface Area: 116 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 468.4±3.0 cm3

Click to predict properties on the Chemicalize site


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