ChemSpider 2D Image | Ethyl 1-ethyl-6-fluoro-7-{4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylate | C24H29FN6O5

Ethyl 1-ethyl-6-fluoro-7-{4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylate

  • Molecular FormulaC24H29FN6O5
  • Average mass500.523 Da
  • Monoisotopic mass500.218353 Da
  • ChemSpider ID127426168

More details:

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

1-Éthyl-6-fluoro-7-{4-[2-(2-méthyl-5-nitro-1H-imidazol-1-yl)éthyl]-1-pipérazinyl}-4-oxo-1,4-dihydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-[4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1-piperazinyl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-6-fluoro-7-{4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-6-fluor-7-{4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4513833/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.2±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.03
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 68.54
Polar Surface Area: 117 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 359.0±7.0 cm3

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