ChemSpider 2D Image | 1-(4-Methoxyphenyl)-1-oxo-2-propanyl 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-6-methyl-4-quinolinecarboxylate | C36H32N2O6

1-(4-Methoxyphenyl)-1-oxo-2-propanyl 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-4-yl)phenyl]-6-methyl-4-quinolinecarboxylate

  • Molecular FormulaC36H32N2O6
  • Average mass588.649 Da
  • Monoisotopic mass588.226013 Da
  • ChemSpider ID3410432

More details:

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

1-(4-Methoxyphenyl)-1-oxo-2-propanyl 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-4-yl)phenyl]-6-methyl-4-quinolinecarboxylate [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-1-oxo-2-propanyl-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-4-yl)phenyl]-6-methyl-4-chinolincarboxylat [German] [ACD/IUPAC Name]
2-[4-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]déc-4-yl)phényl]-6-méthyl-4-quinoléinecarboxylate de 1-(4-méthoxyphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 6-methyl-2-[4-(octahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenyl]-, 2-(4-methoxyphenyl)-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 856.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 471.8±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16829.25
ACD/KOC (pH 5.5): 36859.69
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16836.31
ACD/KOC (pH 7.4): 36875.15
Polar Surface Area: 103 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 451.3±3.0 cm3

Click to predict properties on the Chemicalize site


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