ChemSpider 2D Image | [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl]-(3-bicyclo[2.2.2]octa-2,5-dienyl)methanone | C23H19D8N5O3

[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl]-(3-bicyclo[2.2.2]octa-2,5-dienyl)methanone

  • Molecular FormulaC23H19D8N5O3
  • Average mass429.542 Da
  • Monoisotopic mass429.261597 Da
  • ChemSpider ID28555038

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-(4-Amino-6,7-dimethoxy-2-chinazolinyl)(2H8)-1-piperazinyl](bicyclo[2.2.2]octa-2,5-dien-2-yl)methanon [German] [ACD/IUPAC Name]
[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)(2H8)-1-piperazinyl](bicyclo[2.2.2]octa-2,5-dien-2-yl)methanone [ACD/IUPAC Name]
[4-(4-Amino-6,7-diméthoxy-2-quinazolinyl)(2H8)-1-pipérazinyl](bicyclo[2.2.2]octa-2,5-dién-2-yl)méthanone [French] [ACD/IUPAC Name]
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(3-bicyclo[2.2.2]octa-2,5-dienyl)methanone
1189701-23-2 [RN]
Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]bicyclo[2.2.2]octa-2,5-dien-2-yl- [ACD/Index Name]
PRAZOBIND-D8

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 706.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.4±3.0 kJ/mol
    Flash Point: 381.1±35.7 °C
    Index of Refraction: 1.666
    Molar Refractivity: 118.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): 0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.22
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 6.95
    ACD/KOC (pH 7.4): 133.97
    Polar Surface Area: 94 Å2
    Polarizability: 46.9±0.5 10-24cm3
    Surface Tension: 64.5±3.0 dyne/cm
    Molar Volume: 318.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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