ChemSpider 2D Image | Propyl (4R,7R)-7-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C31H37NO7

Propyl (4R,7R)-7-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC31H37NO7
  • Average mass535.628 Da
  • Monoisotopic mass535.257019 Da
  • ChemSpider ID62670581

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7R)-7-(3,4-Diméthoxyphényl)-4-(4-éthoxy-3-méthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de propyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, propyl ester, (4R,7R)- [ACD/Index Name]
Propyl (4R,7R)-7-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Propyl-(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-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: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1739.35
ACD/KOC (pH 5.5): 7262.11
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1739.39
ACD/KOC (pH 7.4): 7262.29
Polar Surface Area: 92 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

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