ChemSpider 2D Image | 6-Methyl 3-propyl (4R,6S,7R)-4-[4-(diethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate | C27H36N2O5

6-Methyl 3-propyl (4R,6S,7R)-4-[4-(diethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

  • Molecular FormulaC27H36N2O5
  • Average mass468.585 Da
  • Monoisotopic mass468.262421 Da
  • ChemSpider ID62496794

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,6S,7R)-4-[4-(Diéthylamino)phényl]-2,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinoléinedicarboxylate de 6-méthyle et de 3-propyle [French] [ACD/IUPAC Name]
3,6-Quinolinedicarboxylic acid, 4-[4-(diethylamino)phenyl]-1,4,5,6,7,8-hexahydro-2,7-dimethyl-5-oxo-, 6-methyl 3-propyl ester, (4R,6S,7R)- [ACD/Index Name]
6-Methyl 3-propyl (4R,6S,7R)-4-[4-(diethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate [ACD/IUPAC Name]
6-Methyl-3-propyl-(4R,6S,7R)-4-[4-(diethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-chinolindicarboxylat [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: 602.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 221.67
ACD/KOC (pH 5.5): 852.43
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2068.64
ACD/KOC (pH 7.4): 7955.02
Polar Surface Area: 85 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

Click to predict properties on the Chemicalize site


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