Found 2 results

Search term: CUADCOLSNAOSOS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Isopropyl (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C22H27NO6

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

  • Molecular FormulaC22H27NO6
  • Average mass401.453 Da
  • Monoisotopic mass401.183838 Da
  • ChemSpider ID62586785

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(4-Hydroxy-3,5-diméthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-, 1-methylethyl ester, (4S)- [ACD/Index Name]
Isopropyl (4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Isopropyl-(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-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: 566.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.69
ACD/KOC (pH 5.5): 528.24
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.51
ACD/KOC (pH 7.4): 526.07
Polar Surface Area: 94 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 317.0±5.0 cm3

Click to predict properties on the Chemicalize site


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