ChemSpider 2D Image | 1-Cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-(5,5,7,7-~2~H_4_)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C21H20D4FN3O4

1-Cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-(5,5,7,7-2H4)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC21H20D4FN3O4
  • Average mass405.456 Da
  • Monoisotopic mass405.200195 Da
  • ChemSpider ID114392433

  • 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-Cyclopropyl-6-fluor-8-methoxy-7-[(4aS,7aS)-(5,5,7,7-2H4)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-Cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-(5,5,7,7-2H4)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-5,7-d2-6H-pyrrolo[3,4-b]pyridin-6-yl-5,7-d2]-4-oxo- [ACD/Index Name]
Acide 1-cyclopropyl-6-fluoro-8-méthoxy-7-[(4aS,7aS)-(5,5,7,7-2H4)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-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: 636.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.7±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 285.0±3.0 cm3

Click to predict properties on the Chemicalize site


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