ChemSpider 2D Image | Cyclohexyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C32H37NO6

Cyclohexyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC32H37NO6
  • Average mass531.639 Da
  • Monoisotopic mass531.262085 Da
  • ChemSpider ID62526558

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,7S)-2-Méthyl-5-oxo-7-phényl-4-(3,4,5-triméthoxyphényl)-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de cyclohexyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-, cyclohexyl ester, (4S,7S)- [ACD/Index Name]
Cyclohexyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Cyclohexyl-(4S,7S)-2-methyl-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-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: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5089.86
ACD/KOC (pH 5.5): 15662.12
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5089.94
ACD/KOC (pH 7.4): 15662.37
Polar Surface Area: 83 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

Click to predict properties on the Chemicalize site


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