ChemSpider 2D Image | eleclazine | C21H16F3N3O3

eleclazine

  • Molecular FormulaC21H16F3N3O3
  • Average mass415.365 Da
  • Monoisotopic mass415.114380 Da
  • ChemSpider ID34993116

More details:

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

1,4-Benzoxazepin-5(2H)-one, 3,4-dihydro-4-(2-pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
1443211-72-0 [RN]
4-(2-Pyrimidinylmethyl)-7-[4-(trifluormethoxy)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-on [German] [ACD/IUPAC Name]
4-(2-Pyrimidinylmethyl)-7-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one [ACD/IUPAC Name]
4-(2-Pyrimidinylméthyl)-7-[4-(trifluorométhoxy)phényl]-3,4-dihydro-1,4-benzoxazépin-5(2H)-one [French] [ACD/IUPAC Name]
4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
eleclazina [Spanish] [INN]
eleclazine [INN] [USAN]
éléclazine [French] [INN]
eleclazinum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9978 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 544.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.3±3.0 kJ/mol
    Flash Point: 283.3±30.1 °C
    Index of Refraction: 1.580
    Molar Refractivity: 100.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 3.29
    ACD/BCF (pH 5.5): 184.90
    ACD/KOC (pH 5.5): 1459.78
    ACD/LogD (pH 7.4): 3.29
    ACD/BCF (pH 7.4): 184.91
    ACD/KOC (pH 7.4): 1459.79
    Polar Surface Area: 65 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 303.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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