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ChemSpider 2D Image | H3B-6527 | C29H34Cl2N8O4

H3B-6527

  • Molecular FormulaC29H34Cl2N8O4
  • Average mass629.537 Da
  • Monoisotopic mass628.208008 Da
  • ChemSpider ID58172617

More details:

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

1702259-66-2 [RN]
2-Propenamide, N-[2-[[6-[[[(2,6-dichloro-3,5-dimethoxyphenyl)amino]carbonyl]methylamino]-4-pyrimidinyl]amino]-5-(4-ethyl-1-piperazinyl)phenyl]- [ACD/Index Name]
4HTE364XIK
H3B-6527
N-{2-[(6-{[(2,6-Dichlor-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}-4-pyrimidinyl)amino]-5-(4-ethyl-1-piperazinyl)phenyl}acrylamid [German] [ACD/IUPAC Name]
N-{2-[(6-{[(2,6-Dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}-4-pyrimidinyl)amino]-5-(4-ethyl-1-piperazinyl)phenyl}acrylamide [ACD/IUPAC Name]
N-{2-[(6-{[(2,6-Dichloro-3,5-diméthoxyphényl)carbamoyl](méthyl)amino}-4-pyrimidinyl)amino]-5-(4-éthyl-1-pipérazinyl)phényl}acrylamide [French] [ACD/IUPAC Name]
N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}prop-2-enamide
MFCD30377210
N-(2-((6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide
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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: 832.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 120.9±3.0 kJ/mol
    Flash Point: 457.0±34.3 °C
    Index of Refraction: 1.665
    Molar Refractivity: 170.2±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 2.08
    ACD/BCF (pH 5.5): 5.73
    ACD/KOC (pH 5.5): 24.15
    ACD/LogD (pH 7.4): 3.92
    ACD/BCF (pH 7.4): 393.20
    ACD/KOC (pH 7.4): 1655.71
    Polar Surface Area: 124 Å2
    Polarizability: 67.5±0.5 10-24cm3
    Surface Tension: 65.3±3.0 dyne/cm
    Molar Volume: 458.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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