ChemSpider 2D Image | 1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C25H24F3N3O5

1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC25H24F3N3O5
  • Average mass503.470 Da
  • Monoisotopic mass503.166809 Da
  • ChemSpider ID412590

More details:

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

1-Cyclopropyl-8-(difluormethoxy)-6-fluor-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo- [ACD/Index Name]
Acide 1-cyclopropyl-8-(difluorométhoxy)-6-fluoro-7-[4-(2-méthoxyphényl)-1-pipérazinyl]-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1-Cyclopropyl-8-difluoromethoxy-6-fluoro-1,4-didehydro-7-[4-(2-methoxyphenyl)-1piperazinyl]-4-oxoquinoline-3-carboxylic acid
1-Cyclopropyl-8-difluoromethoxy-6-fluoro-7-[4-(2-methoxy-phenyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL323364/

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

AIDS060278 [DBID]
AIDS-060278 [DBID]
K-11 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 24.96
ACD/KOC (pH 5.5): 197.47
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 19.12
ACD/KOC (pH 7.4): 151.31
Polar Surface Area: 83 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 345.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement