ChemSpider 2D Image | Ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1-{3-[(2-phenylethyl)carbamoyl]benzyl}-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C32H34N2O4

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

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID3114109

More details:

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

2-Méthyl-4-(2-méthylphényl)-6-oxo-1-{3-[(2-phényléthyl)carbamoyl]benzyl}-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(2-methylphenyl)-6-oxo-1-[[3-[[(2-phenylethyl)amino]carbonyl]phenyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1-{3-[(2-phenylethyl)carbamoyl]benzyl}-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-2-methyl-4-(2-methylphenyl)-6-oxo-1-{3-[(2-phenylethyl)carbamoyl]benzyl}-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: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7464.72
ACD/KOC (pH 5.5): 20601.26
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7464.72
ACD/KOC (pH 7.4): 20601.26
Polar Surface Area: 76 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

Click to predict properties on the Chemicalize site


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