ChemSpider 2D Image | 3-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide | C29H31N7O

3-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide

  • Molecular FormulaC29H31N7O
  • Average mass493.603 Da
  • Monoisotopic mass493.259003 Da
  • ChemSpider ID48061198

More details:

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

1246819-59-9 [RN]
3-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamid [German] [ACD/IUPAC Name]
3-[(4-Methyl-1-piperazinyl)methyl]-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)benzamide [ACD/IUPAC Name]
3-[(4-Méthyl-1-pipérazinyl)méthyl]-N-(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
3-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
3-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.672
    Molar Refractivity: 147.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 1.18
    ACD/KOC (pH 5.5): 10.08
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 53.06
    ACD/KOC (pH 7.4): 454.77
    Polar Surface Area: 86 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 63.6±3.0 dyne/cm
    Molar Volume: 393.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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