ChemSpider 2D Image | Methyl N-{[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-valinate | C19H22F2N4O3

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

  • Molecular FormulaC19H22F2N4O3
  • Average mass392.400 Da
  • Monoisotopic mass392.165985 Da
  • ChemSpider ID22886005

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-valine, N-[[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]-, methyl ester
L-Valine, 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-valinate [ACD/IUPAC Name]
Methyl-N-{[4-(2,4-difluorphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[4-(2,4-Difluorophényl)-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-valinate 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)-3-methylbutanoate
1212476-44-2 [RN]
methyl (2S)-2-[[4-(2,4-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-methylbutanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 546.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.5±3.0 kJ/mol
    Flash Point: 284.0±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 96.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.23
    ACD/LogD (pH 5.5): 1.54
    ACD/BCF (pH 5.5): 5.00
    ACD/KOC (pH 5.5): 57.25
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 44.69
    ACD/KOC (pH 7.4): 511.95
    Polar Surface Area: 87 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 298.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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