ChemSpider 2D Image | 3-(2-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}phenyl)-1H-isochromen-1-one | C26H21FN2O3

3-(2-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}phenyl)-1H-isochromen-1-one

  • Molecular FormulaC26H21FN2O3
  • Average mass428.455 Da
  • Monoisotopic mass428.153625 Da
  • ChemSpider ID21530131

More details:

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

1H-2-Benzopyran-1-one, 3-[2-[[4-(4-fluorophenyl)-1-piperazinyl]carbonyl]phenyl]- [ACD/Index Name]
3-(2-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}phenyl)-1H-isochromen-1-one [ACD/IUPAC Name]
3-(2-{[4-(4-Fluorophényl)-1-pipérazinyl]carbonyl}phényl)-1H-isochromén-1-one [French] [ACD/IUPAC Name]
3-(2-{[4-(4-Fluorphenyl)-1-piperazinyl]carbonyl}phenyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
3-(2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}phenyl)-1H-isochromen-1-one
3-(2-{[4-(4-fluorophenyl)piperazinyl]carbonyl}phenyl)isochromen-1-one
3-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]isochromen-1-one
3-{2-[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-phenyl}-isochromen-1-one
903584-74-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 653.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.3±3.0 kJ/mol
    Flash Point: 349.0±31.5 °C
    Index of Refraction: 1.647
    Molar Refractivity: 117.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.82
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 440.61
    ACD/KOC (pH 5.5): 2715.43
    ACD/LogD (pH 7.4): 3.78
    ACD/BCF (pH 7.4): 441.94
    ACD/KOC (pH 7.4): 2723.64
    Polar Surface Area: 50 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 323.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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