ChemSpider 2D Image | Ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C28H31NO5

Ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC28H31NO5
  • Average mass461.549 Da
  • Monoisotopic mass461.220215 Da
  • ChemSpider ID62378086

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,7R)-7-(3,4-Diméthoxyphényl)-2-méthyl-4-(2-méthylphényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-(2-methylphenyl)-5-oxo-, ethyl ester, (4S,7R)- [ACD/Index Name]
Ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-(4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [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: 608.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2399.28
ACD/KOC (pH 5.5): 9142.27
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2399.37
ACD/KOC (pH 7.4): 9142.60
Polar Surface Area: 74 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement