ChemSpider 2D Image | Cyclohexyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H29ClN2O7

Cyclohexyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID5450312

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S,7R)-7-(4-Chlorophényl)-2-méthyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de cyclohexyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-, cyclohexyl ester, (4S,7R)- [ACD/Index Name]
Cyclohexyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Cyclohexyl-(4S,7R)-7-(4-chlorphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

ZINC04112250 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 677.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.4±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23561.21
ACD/KOC (pH 5.5): 46875.11
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23610.73
ACD/KOC (pH 7.4): 46973.62
Polar Surface Area: 120 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 376.2±7.0 cm3

Click to predict properties on the Chemicalize site


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