ChemSpider 2D Image | Methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}-L-valinate | C20H27N3O6

Methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}-L-valinate

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID22882068

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Valine, N-[[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-pipérazinyl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
1173680-06-2 [RN]
2-{[4-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-piperazine-1-carbonyl]-amino}-3-methyl-butyric acid methyl ester
methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]carbonyl}-L-valinate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 636.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.0±3.0 kJ/mol
    Flash Point: 338.5±31.5 °C
    Index of Refraction: 1.554
    Molar Refractivity: 102.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.29
    ACD/KOC (pH 5.5): 144.24
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.29
    ACD/KOC (pH 7.4): 144.22
    Polar Surface Area: 97 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 321.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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