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

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

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID32511929

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-(3-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-(3-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-(3-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-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]- [ACD/Index Name]
1630848-33-7 [RN]
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-[2-[4-(3-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: 778.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.3±3.0 kJ/mol
    Flash Point: 424.7±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: 2.92
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 3.71
    ACD/KOC (pH 5.5): 44.89
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 36.50
    ACD/KOC (pH 7.4): 441.61
    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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