ChemSpider 2D Image | 5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-hydroxy-3-{[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]methyl}-4H-pyran-4-one | C27H37N3O6

5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-hydroxy-3-{[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]methyl}-4H-pyran-4-one

  • Molecular FormulaC27H37N3O6
  • Average mass499.599 Da
  • Monoisotopic mass499.268250 Da
  • ChemSpider ID29352682

More details:

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

4H-Pyran-4-one, 5-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)methyl]-2-hydroxy-3-[[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]methyl]- [ACD/Index Name]
5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)methyl]-2-hydroxy-3-{[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]methyl}-4H-pyran-4-on [German] [ACD/IUPAC Name]
5-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-2-hydroxy-3-{[4-(tétrahydro-2H-pyran-4-yl)-1-pipérazinyl]méthyl}-4H-pyran-4-one [French] [ACD/IUPAC Name]
5-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-2-hydroxy-3-{[4-(tetrahydro-2H-pyran-4-yl)-1-piperazinyl]methyl}-4H-pyran-4-one [ACD/IUPAC Name]
1401601-84-0 [RN]
5-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2-hydroxy-3-((4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl)methyl)-4H-pyran-4-one
5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-3-{[4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]methyl}-4H-pyran-4-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 669.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 103.4±3.0 kJ/mol
    Flash Point: 358.8±31.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 134.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): -0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.24
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.06
    Polar Surface Area: 84 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 393.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement