Found 347 results

Search term: MF = 'C_{31}H_{38}N_{2}O_{7}'
ChemSpider 2D Image | (4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione | C31H38N2O7

(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione

  • Molecular FormulaC31H38N2O7
  • Average mass550.643 Da
  • Monoisotopic mass550.267883 Da
  • ChemSpider ID4708554

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylen]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)méthylène]-5-[3-(3-méthylbutoxy)phényl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-, (4E)- [ACD/Index Name]
morpholinium, 4-[3-[(3E)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxo-1-pyrrolidinyl]propyl]-, inner salt
(E)-2,3-dihydro-1,4-benzodioxin-6-yl-[2-[3-(3-methylbutoxy)phenyl]-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-(3-methylbutoxy)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 707.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 381.7±35.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 149.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.65
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 3.96
    ACD/KOC (pH 5.5): 33.21
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 75.88
    ACD/KOC (pH 7.4): 636.48
    Polar Surface Area: 98 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 443.6±3.0 cm3

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