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

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

  • Molecular FormulaC25H24F3N3O5
  • Average mass503.470 Da
  • Monoisotopic mass503.166809 Da
  • ChemSpider ID417805

More details:

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

1-Cyclopropyl-8-(difluormethoxy)-6-fluor-7-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[4-(4-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-(4-methoxyphenyl)-1-piperazinyl]-4-oxo- [ACD/Index Name]
Acide 1-cyclopropyl-8-(difluorométhoxy)-6-fluoro-7-[4-(4-méthoxyphényl)-1-pipérazinyl]-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1-Cyclopropyl-8-(1,1-difluoro-methoxy)-6-fluoro-7-[4-(4-methoxy-phenyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
1-Cyclopropyl-8-difluoromethoxy-6-fluoro-7-[4-(4-methoxy-phenyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL316991/

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

AIDS086522 [DBID]
AIDS-086522 [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: 705.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.2±32.9 °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: 2.94
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 19.04
ACD/KOC (pH 5.5): 173.58
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 11.80
ACD/KOC (pH 7.4): 107.62
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


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