ChemSpider 2D Image | 1-[(2,2,3,3-~2~H_4_)Cyclopropyl]-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C19H16D4F3N3O3

1-[(2,2,3,3-2H4)Cyclopropyl]-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC19H16D4F3N3O3
  • Average mass399.400 Da
  • Monoisotopic mass399.170776 Da
  • ChemSpider ID107447922

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[(2,2,3,3-2H4)Cyclopropyl]-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-[(2,2,3,3-2H4)Cyclopropyl]-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-(cyclopropyl-2,2,3,3-d4)-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
Acide 1-[(2,2,3,3-2H4)cyclopropyl]-7-[(3R,5S)-3,5-diméthyl-1-pipérazinyl]-5,6,8-trifluoro-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: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.1±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 73 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site


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