ChemSpider 2D Image | 2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-5-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy}-4H-pyran-4-one | C30H35N3O7

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

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID29767374

More details:

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

2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)methyl]-5-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy}-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-5-{2-[4-(2-méthoxyphényl)-1-pipérazinyl]-2-oxoéthoxy}-4H-pyran-4-one [French] [ACD/IUPAC Name]
2-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-5-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy}-4H-pyran-4-one [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)methyl]-5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]- [ACD/Index Name]
1246069-80-6 [RN]
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]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: 769.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.0±3.0 kJ/mol
    Flash Point: 418.9±32.9 °C
    Index of Refraction: 1.638
    Molar Refractivity: 148.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 4.51
    ACD/KOC (pH 5.5): 51.59
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 44.32
    ACD/KOC (pH 7.4): 507.42
    Polar Surface Area: 90 Å2
    Polarizability: 58.9±0.5 10-24cm3
    Surface Tension: 62.4±5.0 dyne/cm
    Molar Volume: 413.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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