ChemSpider 2D Image | 4-Methoxybenzyl 4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H27NO7

4-Methoxybenzyl 4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H27NO7
  • Average mass513.538 Da
  • Monoisotopic mass513.178772 Da
  • ChemSpider ID2222330

More details:

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

3-Quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-7-(2-furanyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, (4-methoxyphenyl)methyl ester [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-7-(2-furyl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de 4-méthoxybenzyle [French] [ACD/IUPAC Name]
4-Methoxybenzyl 4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
4-Methoxybenzyl 4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4-Methoxybenzyl-4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
(4-methoxyphenyl)methyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-7-(2-furyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
4-methoxybenzyl 4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.1±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: 358.4±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1256.94
ACD/KOC (pH 5.5): 5755.55
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1256.97
ACD/KOC (pH 7.4): 5755.68
Polar Surface Area: 96 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

Click to predict properties on the Chemicalize site


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