ChemSpider 2D Image | Propyl (4R,7S)-7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H33NO7

Propyl (4R,7S)-7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID62376038

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7S)-7-(3,4-Diméthoxyphényl)-4-[4-(méthoxycarbonyl)phényl]-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)-1,4,5,6,7,8-hexahydro-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-, propyl ester, (4R,7S)- [ACD/Index Name]
Propyl (4R,7S)-7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Propyl-(4R,7S)-7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-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: 1.3±0.1 g/cm3
Boiling Point: 655.3±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: 350.1±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2062.59
ACD/KOC (pH 5.5): 8204.47
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2062.63
ACD/KOC (pH 7.4): 8204.63
Polar Surface Area: 100 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

Click to predict properties on the Chemicalize site


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