ChemSpider 2D Image | N-{2-[(6,7-Dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}-2-(2-pyridinylsulfanyl)acetamide | C27H27N3O5S

N-{2-[(6,7-Dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}-2-(2-pyridinylsulfanyl)acetamide

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID4463764

More details:

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

Acetamide, N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(2-pyridinylthio)- [ACD/Index Name]
N-{2-[(6,7-Dimethoxy-1-isochinolinyl)methyl]-4,5-dimethoxyphenyl}-2-(2-pyridinylsulfanyl)acetamid [German] [ACD/IUPAC Name]
N-{2-[(6,7-Diméthoxy-1-isoquinoléinyl)méthyl]-4,5-diméthoxyphényl}-2-(2-pyridinylsulfanyl)acétamide [French] [ACD/IUPAC Name]
N-{2-[(6,7-Dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}-2-(2-pyridinylsulfanyl)acetamide [ACD/IUPAC Name]
MFCD07022601
N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(pyridin-2-ylsulfanyl)acetamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(pyridin-2-ylthio)acetamide
N-{2-[(6,7-dimethoxyisoquinolyl)methyl]-4,5-dimethoxyphenyl}-2-(2-pyridylthio)acetamide

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

A4011/0171038 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 715.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.5±3.0 kJ/mol
    Flash Point: 386.2±32.9 °C
    Index of Refraction: 1.656
    Molar Refractivity: 140.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 44.02
    ACD/KOC (pH 5.5): 304.81
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 273.49
    ACD/KOC (pH 7.4): 1893.72
    Polar Surface Area: 117 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 65.0±5.0 dyne/cm
    Molar Volume: 382.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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