ChemSpider 2D Image | 4-Butyl-6-chloro-8-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-7-hydroxy-2H-chromen-2-one | C25H28ClNO5

4-Butyl-6-chloro-8-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-7-hydroxy-2H-chromen-2-one

  • Molecular FormulaC25H28ClNO5
  • Average mass457.947 Da
  • Monoisotopic mass457.165588 Da
  • ChemSpider ID29770508

More details:

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

2H-1-Benzopyran-2-one, 4-butyl-6-chloro-8-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)methyl]-7-hydroxy- [ACD/Index Name]
4-Butyl-6-chlor-8-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)methyl]-7-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Butyl-6-chloro-8-[(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-7-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-Butyl-6-chloro-8-[(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-7-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
1435992-89-4 [RN]
4-Butyl-6-chloro-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-chromen-2-one
4-butyl-6-chloro-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-hydroxychromen-2-one
4-butyl-6-chloro-8-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hydroxy-2H-chromen-2-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: 616.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.8±3.0 kJ/mol
    Flash Point: 326.8±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 123.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.78
    ACD/LogD (pH 5.5): 4.43
    ACD/BCF (pH 5.5): 802.20
    ACD/KOC (pH 5.5): 2207.32
    ACD/LogD (pH 7.4): 4.19
    ACD/BCF (pH 7.4): 457.20
    ACD/KOC (pH 7.4): 1258.02
    Polar Surface Area: 68 Å2
    Polarizability: 48.9±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 360.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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