ChemSpider 2D Image | 2-(7,8-Dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-(3,4,5-trifluorophenyl)acetamide | C20H17F3N2O4

2-(7,8-Dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-(3,4,5-trifluorophenyl)acetamide

  • Molecular FormulaC20H17F3N2O4
  • Average mass406.355 Da
  • Monoisotopic mass406.114044 Da
  • ChemSpider ID29345098

More details:

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

2-(7,8-Dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-(3,4,5-trifluorophenyl)acetamide [ACD/IUPAC Name]
2-(7,8-Diméthoxy-2-oxo-1,2-dihydro-3H-3-benzazépin-3-yl)-N-(3,4,5-trifluorophényl)acétamide [French] [ACD/IUPAC Name]
2-(7,8-Dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-(3,4,5-trifluorphenyl)acetamid [German] [ACD/IUPAC Name]
3H-3-Benzazepine-3-acetamide, 1,2-dihydro-7,8-dimethoxy-2-oxo-N-(3,4,5-trifluorophenyl)- [ACD/Index Name]
1574308-26-1 [RN]
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(3,4,5-trifluorophenyl)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: 613.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.1±3.0 kJ/mol
    Flash Point: 324.8±31.5 °C
    Index of Refraction: 1.583
    Molar Refractivity: 98.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.72
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 138.34
    ACD/KOC (pH 5.5): 1186.03
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 138.23
    ACD/KOC (pH 7.4): 1185.12
    Polar Surface Area: 68 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 294.0±3.0 cm3

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