ChemSpider 2D Image | N-(2,4-Difluorophenyl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]acetamide | C21H19F2N3O3

N-(2,4-Difluorophenyl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]acetamide

  • Molecular FormulaC21H19F2N3O3
  • Average mass399.391 Da
  • Monoisotopic mass399.139435 Da
  • ChemSpider ID21757394

More details:

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

Acetamide, N-(2,4-difluorophenyl)-2-[(6,7,8,9,10,12-hexahydro-12-oxoazepino[2,1-b]quinazolin-2-yl)oxy]- [ACD/Index Name]
N-(2,4-Difluorophenyl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]acetamide [ACD/IUPAC Name]
N-(2,4-Difluorophényl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazépino[2,1-b]quinazolin-2-yl)oxy]acétamide [French] [ACD/IUPAC Name]
N-(2,4-Difluorphenyl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]chinazolin-2-yl)oxy]acetamid [German] [ACD/IUPAC Name]
951981-40-1 [RN]
N-(2,4-difluorophenyl)-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]acetamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.639
    Molar Refractivity: 102.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.94
    ACD/KOC (pH 5.5): 634.63
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 58.40
    ACD/KOC (pH 7.4): 639.71
    Polar Surface Area: 71 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 283.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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