ChemSpider 2D Image | N-Desmethyl Bosutinib | C25H27Cl2N5O3

N-Desmethyl Bosutinib

  • Molecular FormulaC25H27Cl2N5O3
  • Average mass516.420 Da
  • Monoisotopic mass515.149109 Da
  • ChemSpider ID4486106

More details:

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

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-méthoxy-7-[3-(1-pipérazinyl)propoxy]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(piperazin-1-yl)propoxy]quinoline-3-carbonitrile
N-Desmethyl Bosutinib
1845717-02-3 [RN]
380843-81-2 [RN]
4-(2,4-Dichloro-5-methoxy-phenylamino)-6-methoxy-7-(3-piperazin-1-yl-propoxy)-quinoline-3-carbonitrile
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitri
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 655.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 350.2±31.5 °C
    Index of Refraction: 1.655
    Molar Refractivity: 137.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.91
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 1.94
    ACD/KOC (pH 5.5): 7.77
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 33.79
    ACD/KOC (pH 7.4): 135.38
    Polar Surface Area: 92 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 67.3±5.0 dyne/cm
    Molar Volume: 373.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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