ChemSpider 2D Image | Ethyl 1-({5-[(3,3-diphenylpropyl)carbamoyl]-2-furyl}methyl)-2-methyl-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C42H40N2O6

Ethyl 1-({5-[(3,3-diphenylpropyl)carbamoyl]-2-furyl}methyl)-2-methyl-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC42H40N2O6
  • Average mass668.777 Da
  • Monoisotopic mass668.288635 Da
  • ChemSpider ID2922885

More details:

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

1-({5-[(3,3-Diphénylpropyl)carbamoyl]-2-furyl}méthyl)-2-méthyl-6-oxo-4-(3-phénoxyphényl)-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[[5-[[(3,3-diphenylpropyl)amino]carbonyl]-2-furanyl]methyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-4-(3-phenoxyphenyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-({5-[(3,3-diphenylpropyl)carbamoyl]-2-furyl}methyl)-2-methyl-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-1-({5-[(3,3-diphenylpropyl)carbamoyl]-2-furyl}methyl)-2-methyl-6-oxo-4-(3-phenoxyphenyl)-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: 827.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.3±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 190.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.16
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 489418.72
ACD/KOC (pH 5.5): 411381.66
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 489418.72
ACD/KOC (pH 7.4): 411381.66
Polar Surface Area: 98 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 551.2±3.0 cm3

Click to predict properties on the Chemicalize site


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