ChemSpider 2D Image | 4-(4-Chlorobenzyl)-2-[1-(~2~H_3_)methyl-4-azepanyl]-1(2H)-phthalazinone | C22H21D3ClN3O

4-(4-Chlorobenzyl)-2-[1-(2H3)methyl-4-azepanyl]-1(2H)-phthalazinone

  • Molecular FormulaC22H21D3ClN3O
  • Average mass384.917 Da
  • Monoisotopic mass384.179626 Da
  • ChemSpider ID48059118

  • Non-standard isotope - Non-standard isotope

More details:

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

1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-[hexahydro-1-(methyl-d3)-1H-azepin-4-yl]- [ACD/Index Name]
4-(4-Chlorbenzyl)-2-[1-(2H3)methyl-4-azepanyl]-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-2-[1-(2H3)méthyl-4-azépanyl]-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-2-[1-(2H3)methyl-4-azepanyl]-1(2H)-phthalazinone [ACD/IUPAC Name]
4-[(4-chlorophenyl)methyl]-2-[1-(trideuteriomethyl)azepan-4-yl]phthalazin-1-one
758637-88-6 [RN]
AZELASTINE-13C,D3
AZELASTINE-D3

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 533.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±3.0 kJ/mol
    Flash Point: 276.7±32.9 °C
    Index of Refraction: 1.642
    Molar Refractivity: 110.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.71
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 1.03
    ACD/KOC (pH 5.5): 4.92
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 13.77
    ACD/KOC (pH 7.4): 65.59
    Polar Surface Area: 36 Å2
    Polarizability: 43.6±0.5 10-24cm3
    Surface Tension: 47.5±7.0 dyne/cm
    Molar Volume: 304.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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