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

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

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID3518246

More details:

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

3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-, cyclohexyl ester [ACD/Index Name]
7-(4-Chlorophényl)-2-méthyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Cyclohexyl-7-(4-chlorphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
7-(4-Chloro-phenyl)-2-methyl-4-(6-nitro-benzo[1,3]dioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid cyclohexyl ester
cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolen-5-yl))-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

A1998/0083931 [DBID]
EU-0037472 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 698.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15001.10
ACD/KOC (pH 5.5): 33951.20
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15001.25
ACD/KOC (pH 7.4): 33951.54
Polar Surface Area: 120 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 395.4±5.0 cm3

Click to predict properties on the Chemicalize site


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