Found 2 results

Search term: ZFIOCUITTUUVPV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-{(3R,4R)-3-[(Cyclopropylamino)methyl]-4-fluoro-1-pyrrolidinyl}-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C21H24F3N3O4

7-{(3R,4R)-3-[(Cyclopropylamino)methyl]-4-fluoro-1-pyrrolidinyl}-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC21H24F3N3O4
  • Average mass439.428 Da
  • Monoisotopic mass439.171906 Da
  • ChemSpider ID111311719

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarboxylic acid, 7-[(3R,4R)-3-[(cyclopropylamino)methyl]-4-fluoro-1-pyrrolidinyl]-6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-8-methoxy-4-oxo- [ACD/Index Name]
7-{(3R,4R)-3-[(Cyclopropylamino)methyl]-4-fluor-1-pyrrolidinyl}-6-fluor-1-(2-fluorethyl)-8-methoxy-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
7-{(3R,4R)-3-[(Cyclopropylamino)methyl]-4-fluoro-1-pyrrolidinyl}-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-{(3R,4R)-3-[(cyclopropylamino)méthyl]-4-fluoro-1-pyrrolidinyl}-6-fluoro-1-(2-fluoroéthyl)-8-méthoxy-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: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

Click to predict properties on the Chemicalize site


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