ChemSpider 2D Image | 1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-4-[4-(methylsulfonyl)-1-piperazinyl]-1,4-butanedione | C20H29N3O6S

1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-4-[4-(methylsulfonyl)-1-piperazinyl]-1,4-butanedione

  • Molecular FormulaC20H29N3O6S
  • Average mass439.526 Da
  • Monoisotopic mass439.177704 Da
  • ChemSpider ID21858095

More details:

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

1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-4-[4-(methylsulfonyl)-1-piperazinyl]-1,4-butandion [German] [ACD/IUPAC Name]
1-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-4-[4-(méthylsulfonyl)-1-pipérazinyl]-1,4-butanedione [French] [ACD/IUPAC Name]
1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-4-[4-(methylsulfonyl)-1-piperazinyl]-1,4-butanedione [ACD/IUPAC Name]
1,4-Butanedione, 1-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-4-[4-(methylsulfonyl)-1-piperazinyl]- [ACD/Index Name]
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-(4-methanesulfonylpiperazin-1-yl)butane-1,4-dione
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(methylsulfonyl)piperazin-1-yl]butane-1,4-dione
1081118-53-7 [RN]
6,7-dimethoxy-2-{4-[4-(methylsulfonyl)-1-piperazinyl]-4-oxobutanoyl}-1,2,3,4-tetrahydroisoquinoline

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 683.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 367.2±34.3 °C
    Index of Refraction: 1.604
    Molar Refractivity: 111.7±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): 0.80
    ACD/BCF (pH 5.5): 2.38
    ACD/KOC (pH 5.5): 64.83
    ACD/LogD (pH 7.4): 0.80
    ACD/BCF (pH 7.4): 2.38
    ACD/KOC (pH 7.4): 64.83
    Polar Surface Area: 105 Å2
    Polarizability: 44.3±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 324.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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