ChemSpider 2D Image | Methyl N-{[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-alaninate | C17H18F2N4O3

Methyl N-{[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-alaninate

  • Molecular FormulaC17H18F2N4O3
  • Average mass364.347 Da
  • Monoisotopic mass364.134705 Da
  • ChemSpider ID22886184

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Alanine, N-[[4-(2,4-difluorophenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-alaninate [ACD/IUPAC Name]
Methyl-N-{[4-(2,4-difluorphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-alaninat [German] [ACD/IUPAC Name]
N-{[4-(2,4-Difluorophényl)-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-alaninate de méthyle [French] [ACD/IUPAC Name]
(2S)-methyl 2-(4-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-5-carboxamido)propanoate
1212454-54-0 [RN]
methyl (2S)-2-[[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
methyl N-{[4-(2,4-difluorophenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-alaninate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 534.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.1±3.0 kJ/mol
    Flash Point: 277.3±30.1 °C
    Index of Refraction: 1.574
    Molar Refractivity: 87.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.11
    ACD/KOC (pH 5.5): 19.49
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 9.95
    ACD/KOC (pH 7.4): 174.68
    Polar Surface Area: 87 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 264.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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