ChemSpider 2D Image | 7-(4-{[2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C28H27ClFN3O5

7-(4-{[2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID8682015

More details:

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

3-Quinolinecarboxylic acid, 7-[4-[[2-(4-chlorophenyl)tetrahydro-4-methylene-5-oxo-2-furanyl]methyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
7-(4-{[2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
7-(4-{[2-(4-Chlorphenyl)-4-methylen-5-oxotetrahydro-2-furanyl]methyl}-1-piperazinyl)-1-ethyl-6-fluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
Acide 7-(4-{[2-(4-chlorophényl)-4-méthylène-5-oxotétrahydro-2-furanyl]méthyl}-1-pipérazinyl)-1-éthyl-6-fluoro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 744.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.0±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 8.80
ACD/KOC (pH 5.5): 110.71
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.76
Polar Surface Area: 90 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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