ChemSpider 2D Image | 1-[(2,2,3,3-~2~H_4_)Cyclopropyl]-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C23H16D4F2N2O4

1-[(2,2,3,3-2H4)Cyclopropyl]-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC23H16D4F2N2O4
  • Average mass430.437 Da
  • Monoisotopic mass430.164215 Da
  • ChemSpider ID48060994

  • defined stereocentres - 1 of 1 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]-8-(difluormethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-[(2,2,3,3-2H4)Cyclopropyl]-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-(cyclopropyl-2,2,3,3-d4)-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo- [ACD/Index Name]
Acide 1-[(2,2,3,3-2H4)cyclopropyl]-8-(difluorométhoxy)-7-[(1R)-1-méthyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1217818-32-0 [RN]
8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1-(2,2,3,3-tetradeuteriocyclopropyl)quinoline-3-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.5±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.88
Polar Surface Area: 79 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 299.9±3.0 cm3

Click to predict properties on the Chemicalize site


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