ChemSpider 2D Image | 2-Oxo-2-phenylethyl 6-methyl-2-[4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]-4-quinolinecarboxylate | C34H30N2O5

2-Oxo-2-phenylethyl 6-methyl-2-[4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]-4-quinolinecarboxylate

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID3056567

More details:

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

2-Oxo-2-phenylethyl 6-methyl-2-[4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]-4-quinolinecarboxylate [ACD/IUPAC Name]
2-Oxo-2-phenylethyl-6-methyl-2-[4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]-4-chinolincarboxylat [German] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 6-methyl-2-[4-(octahydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)phenyl]-, 2-oxo-2-phenylethyl ester [ACD/Index Name]
6-Méthyl-2-[4-(5-méthyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phényl]-4-quinoléinecarboxylate de 2-oxo-2-phényléthyle [French] [ACD/IUPAC Name]
2-oxo-2-phenylethyl 6-methyl-2-[4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]quinoline-4-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 447.0±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18715.69
ACD/KOC (pH 5.5): 39771.96
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18723.89
ACD/KOC (pH 7.4): 39789.38
Polar Surface Area: 94 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 431.6±3.0 cm3

Click to predict properties on the Chemicalize site


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