ChemSpider 2D Image | 1-(1-Azepanyl)-4-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-1,4-butanedione | C22H28FN3O3

1-(1-Azepanyl)-4-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-1,4-butanedione

  • Molecular FormulaC22H28FN3O3
  • Average mass401.474 Da
  • Monoisotopic mass401.211456 Da
  • ChemSpider ID26043221

More details:

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

1-(1-Azepanyl)-4-[4-(5-fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]-1,4-butandion [German] [ACD/IUPAC Name]
1-(1-Azepanyl)-4-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-1,4-butanedione [ACD/IUPAC Name]
1-(1-Azépanyl)-4-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]-1,4-butanedione [French] [ACD/IUPAC Name]
1,4-Butanedione, 1-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-4-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
1-(azepan-1-yl)-4-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butane-1,4-dione
1219538-97-2 [RN]
1-Azepan-1-yl-4-[4-(5-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-butane-1,4-dione

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 629.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.1±3.0 kJ/mol
    Flash Point: 334.6±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 106.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.50
    ACD/KOC (pH 5.5): 1029.37
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 113.50
    ACD/KOC (pH 7.4): 1029.37
    Polar Surface Area: 67 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 325.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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