Found 2 results

Search term: KVQKOKREOORSOV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Ethoxyethyl (4S,7S)-4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H32ClNO6

2-Ethoxyethyl (4S,7S)-4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC29H32ClNO6
  • Average mass526.021 Da
  • Monoisotopic mass525.191833 Da
  • ChemSpider ID62499664

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,7S)-4-(2-Chlorophényl)-7-(3,4-diméthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 2-éthoxyéthyle [French] [ACD/IUPAC Name]
2-Ethoxyethyl (4S,7S)-4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
2-Ethoxyethyl-(4S,7S)-4-(2-chlorphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-ethoxyethyl ester, (4S,7S)- [ACD/Index 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: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2394.79
ACD/KOC (pH 5.5): 9130.05
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2394.83
ACD/KOC (pH 7.4): 9130.21
Polar Surface Area: 83 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

Click to predict properties on the Chemicalize site


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