ChemSpider 2D Image | CCX-354 | C22H22ClN7O2

CCX-354

  • Molecular FormulaC22H22ClN7O2
  • Average mass451.909 Da
  • Monoisotopic mass451.152344 Da
  • ChemSpider ID25069703

More details:

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

1-[4-(4-Chlor-3-methoxyphenyl)-1-piperazinyl]-2-[3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[4-(4-Chloro-3-methoxyphenyl)-1-piperazinyl]-2-[3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]ethanone [ACD/IUPAC Name]
1-[4-(4-Chloro-3-méthoxyphényl)-1-pipérazinyl]-2-[3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]éthanone [French] [ACD/IUPAC Name]
1010073-75-2 [RN]
CCX-354
Ethanone, 1-[4-(4-chloro-3-methoxyphenyl)-1-piperazinyl]-2-[3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]- [ACD/Index Name]
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]ethan-1-one
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[3,4-b]pyridin-1-yl]ethanone
1359144-02-7 [RN]
ccr1 antagonist 1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

22PQS5K5TY [DBID]
UNII:22PQS5K5TY [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 778.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.3±3.0 kJ/mol
    Flash Point: 424.6±32.9 °C
    Index of Refraction: 1.724
    Molar Refractivity: 121.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 16.81
    ACD/KOC (pH 5.5): 252.52
    ACD/LogD (pH 7.4): 1.99
    ACD/BCF (pH 7.4): 19.19
    ACD/KOC (pH 7.4): 288.29
    Polar Surface Area: 92 Å2
    Polarizability: 48.3±0.5 10-24cm3
    Surface Tension: 60.6±7.0 dyne/cm
    Molar Volume: 307.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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