ChemSpider 2D Image | 1-Ethyl-6-fluoro-7-(4-{[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]methyl}-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C31H29F2N5O3

1-Ethyl-6-fluoro-7-(4-{[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]methyl}-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC31H29F2N5O3
  • Average mass557.591 Da
  • Monoisotopic mass557.223816 Da
  • ChemSpider ID58863365

More details:

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

1-Ethyl-6-fluor-7-(4-{[1-(2-fluorbenzyl)-1H-benzimidazol-2-yl]methyl}-1-piperazinyl)-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-Ethyl-6-fluoro-7-(4-{[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]methyl}-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-7-[4-[[1-[(2-fluorophenyl)methyl]-1H-benzimidazol-2-yl]methyl]-1-piperazinyl]-1,4-dihydro-4-oxo- [ACD/Index Name]
Acide 1-éthyl-6-fluoro-7-(4-{[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]méthyl}-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: 781.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.3±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 144.54
ACD/KOC (pH 5.5): 812.50
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 36.13
Polar Surface Area: 82 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 404.3±7.0 cm3

Click to predict properties on the Chemicalize site


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