ChemSpider 2D Image | 2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | C32H38N2O5

2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID3483539

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[[1-[3-[2-(1,1-dimethylethyl)-4-methoxyphenoxy]-2-hydroxypropyl]-4-piperidinyl]methyl]- [ACD/Index Name]
2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(1-{2-Hydroxy-3-[4-méthoxy-2-(2-méthyl-2-propanyl)phénoxy]propyl}-4-pipéridinyl)méthyl]-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[(1-{2-Hydroxy-3-[4-methoxy-2-(2-methyl-2-propanyl)phenoxy]propyl}-4-piperidinyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
2-((1-(3-(2-(tert-butyl)-4-methoxyphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[[1-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
2-{1-[3-(2-tert-Butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-piperidin-4-ylmethyl}-benzo[de]isoquinoline-1,3-dione
3-({1-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
420832-00-4 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 700.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.7±3.0 kJ/mol
    Flash Point: 377.7±32.9 °C
    Index of Refraction: 1.607
    Molar Refractivity: 151.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.47
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 9.20
    ACD/KOC (pH 5.5): 27.55
    ACD/LogD (pH 7.4): 4.04
    ACD/BCF (pH 7.4): 358.18
    ACD/KOC (pH 7.4): 1072.15
    Polar Surface Area: 79 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 438.9±3.0 cm3

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