ChemSpider 2D Image | 7-[4-({1-[(1S)-1-Carboxy-2-methylpropyl]-1H-1,2,3-triazol-4-yl}methyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C24H29FN6O5

7-[4-({1-[(1S)-1-Carboxy-2-methylpropyl]-1H-1,2,3-triazol-4-yl}methyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC24H29FN6O5
  • Average mass500.523 Da
  • Monoisotopic mass500.218353 Da
  • ChemSpider ID90633035

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Quinolinecarboxylic acid, 7-[4-[[1-[(1S)-1-carboxy-2-methylpropyl]-1H-1,2,3-triazol-4-yl]methyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
7-[4-({1-[(1S)-1-Carboxy-2-methylpropyl]-1H-1,2,3-triazol-4-yl}methyl)-1-piperazinyl]-1-ethyl-6-fluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
7-[4-({1-[(1S)-1-Carboxy-2-methylpropyl]-1H-1,2,3-triazol-4-yl}methyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-[4-({1-[(1S)-1-carboxy-2-méthylpropyl]-1H-1,2,3-triazol-4-yl}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: 730.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.6±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 128.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 343.7±7.0 cm3

Click to predict properties on the Chemicalize site


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