ChemSpider 2D Image | Cyclopentyl (4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H33NO6

Cyclopentyl (4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H33NO6
  • Average mass503.586 Da
  • Monoisotopic mass503.230774 Da
  • ChemSpider ID62545761

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,7R)-7-(3,4-Diméthoxyphényl)-4-(4-hydroxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de cyclopentyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2-methyl-5-oxo-, cyclopentyl ester, (4S,7R)- [ACD/Index Name]
Cyclopentyl (4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Cyclopentyl-(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-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: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1219.06
ACD/KOC (pH 5.5): 5630.72
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1213.44
ACD/KOC (pH 7.4): 5604.78
Polar Surface Area: 94 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 389.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement