ChemSpider 2D Image | 1-(2,4-Difluorophenyl)-6-fluoro-7-[3-methyl(2,2,3,5,5,6,6-~2~H_7_)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C21H11D7F3N3O3

1-(2,4-Difluorophenyl)-6-fluoro-7-[3-methyl(2,2,3,5,5,6,6-2H7)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC21H11D7F3N3O3
  • Average mass424.424 Da
  • Monoisotopic mass424.173950 Da
  • ChemSpider ID58785675

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2,4-Difluorophenyl)-6-fluoro-7-[3-methyl(2,2,3,5,5,6,6-2H7)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
1-(2,4-Difluorphenyl)-6-fluor-7-[3-methyl(2,2,3,5,5,6,6-2H7)-1-piperazinyl]-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(5-methyl-1-piperazinyl-2,2,3,3,5,6,6-d7)-4-oxo- [ACD/Index Name]
Acide 1-(2,4-difluorophényl)-6-fluoro-7-[3-méthyl(2,2,3,5,5,6,6-2H7)-1-pipérazinyl]-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: 1.4±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 292.5±3.0 cm3

Click to predict properties on the Chemicalize site


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