ChemSpider 2D Image | 3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamide | C20H27N3O6

3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamide

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID32511177

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamid [German] [ACD/IUPAC Name]
3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamide [ACD/IUPAC Name]
3-[(4S)-1-(1,3-Benzodioxol-5-ylméthyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-méthyl-2-pentanyl]propanamide [French] [ACD/IUPAC Name]
4-Imidazolidinepropanamide, 1-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-2,5-dioxo-, (4S)- [ACD/Index Name]
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.567
    Molar Refractivity: 103.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.19
    ACD/KOC (pH 5.5): 97.05
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 3.51
    ACD/KOC (pH 7.4): 81.21
    Polar Surface Area: 117 Å2
    Polarizability: 40.9±0.5 10-24cm3
    Surface Tension: 53.1±3.0 dyne/cm
    Molar Volume: 315.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement