ChemSpider 2D Image | Cyclopentyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H28N2O7

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

  • Molecular FormulaC29H28N2O7
  • Average mass516.542 Da
  • Monoisotopic mass516.189636 Da
  • ChemSpider ID2139558

More details:

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

2-Méthyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phényl-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de cyclopentyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-, cyclopentyl ester [ACD/Index Name]
Cyclopentyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Cyclopentyl-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
2-Methyl-4-(6-nitro-benzo[1,3]dioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid cyclopentyl ester
cyclopentyl 2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan-5-yl))-5-oxo-7-phenyl- 1,4,6,7,8-pentahydroquinoline-3-carboxylate
cyclopentyl 2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan-5-yl))-5-oxo-7-phenyl-1,4,6,7,8-pentahydroquinoline-3-carboxylate
cyclopentyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

A2177/0091467 [DBID]
BAS 01052162 [DBID]
ChemDiv1_002449 [DBID]
UNM000000538601 [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: 668.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.3±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2901.54
ACD/KOC (pH 5.5): 10474.73
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2901.57
ACD/KOC (pH 7.4): 10474.86
Polar Surface Area: 120 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 368.6±5.0 cm3

Click to predict properties on the Chemicalize site


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