ChemSpider 2D Image | 7-[4-(2-Amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | C22H18FN3O5

7-[4-(2-Amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

  • Molecular FormulaC22H18FN3O5
  • Average mass423.394 Da
  • Monoisotopic mass423.123047 Da
  • ChemSpider ID26044287

More details:

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

1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-[4-(2-amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-oxo- [ACD/Index Name]
7-[4-(2-Amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
7-[4-(2-Amino-2-oxoethoxy)phenyl]-1-(4-fluorphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 7-[4-(2-amino-2-oxoéthoxy)phényl]-1-(4-fluorophényl)-5-oxo-4,5,6,7-tétrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
1219544-99-6 [RN]
7-(4-Carbamoylmethoxy-phenyl)-1-(4-fluoro-phenyl)-5-hydroxy-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
7-[4-(2-amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
7-[4-(2-amino-2-oxoethoxy)phenyl]-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 736.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.7±3.0 kJ/mol
    Flash Point: 399.1±35.7 °C
    Index of Refraction: 1.682
    Molar Refractivity: 107.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): 1.01
    ACD/BCF (pH 5.5): 1.95
    ACD/KOC (pH 5.5): 28.75
    ACD/LogD (pH 7.4): -1.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 42.5±0.5 10-24cm3
    Surface Tension: 59.8±7.0 dyne/cm
    Molar Volume: 283.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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