ChemSpider 2D Image | 3-{2-[4-(2-Chlorobenzyl)-1-piperazinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one | C25H28ClN3O4

3-{2-[4-(2-Chlorobenzyl)-1-piperazinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

  • Molecular FormulaC25H28ClN3O4
  • Average mass469.961 Da
  • Monoisotopic mass469.176819 Da
  • ChemSpider ID30718975

More details:

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

2H-3-Benzazepin-2-one, 3-[2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-1,3-dihydro-7,8-dimethoxy- [ACD/Index Name]
3-{2-[4-(2-Chlorbenzyl)-1-piperazinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on [German] [ACD/IUPAC Name]
3-{2-[4-(2-Chlorobenzyl)-1-piperazinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one [ACD/IUPAC Name]
3-{2-[4-(2-Chlorobenzyl)-1-pipérazinyl]-2-oxoéthyl}-7,8-diméthoxy-1,3-dihydro-2H-3-benzazépin-2-one [French] [ACD/IUPAC Name]
1574288-54-2 [RN]
3-(2-(4-(2-chlorobenzyl)piperazin-1-yl)-2-oxoethyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one
3-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
3-{2-[4-(2-chlorobenzyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 674.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 361.7±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 126.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.08
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 88.84
    ACD/KOC (pH 5.5): 776.47
    ACD/LogD (pH 7.4): 3.08
    ACD/BCF (pH 7.4): 128.53
    ACD/KOC (pH 7.4): 1123.37
    Polar Surface Area: 62 Å2
    Polarizability: 50.2±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 369.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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