ChemSpider 2D Image | Ethyl 4-[N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]-1-piperazinecarboxylate | C21H29N3O6

Ethyl 4-[N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]-1-piperazinecarboxylate

  • Molecular FormulaC21H29N3O6
  • Average mass419.471 Da
  • Monoisotopic mass419.205627 Da
  • ChemSpider ID22886519

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[(2S)-2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-3-methyl-1-oxobutyl]-, ethyl ester [ACD/Index Name]
4-[N-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1212470-78-4 [RN]
4-{2-[(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-amino]-3-methyl-butyryl}-piperazine-1-carboxylic acid ethyl ester
AKOS005574437
ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methylbutanoyl]piperazine-1-carboxylate
ethyl 4-[N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-L-valyl]piperazine-1-carboxylate
MCULE-1427125508
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 637.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.1±3.0 kJ/mol
    Flash Point: 339.1±31.5 °C
    Index of Refraction: 1.549
    Molar Refractivity: 107.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 1.97
    ACD/BCF (pH 5.5): 18.37
    ACD/KOC (pH 5.5): 279.53
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 18.37
    ACD/KOC (pH 7.4): 279.54
    Polar Surface Area: 97 Å2
    Polarizability: 42.5±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 337.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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