ChemSpider 2D Image | 6,7-Dimethoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide | C28H39N3O6S

6,7-Dimethoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID21370227

More details:

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

2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-6,7-dimethoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
6,7-Dimethoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isochinolincarbothioamid [German] [ACD/IUPAC Name]
6,7-Diméthoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-triméthoxyphényl)-3,4-dihydro-2(1H)-isoquinoléinecarbothioamide [French] [ACD/IUPAC Name]
6,7-Dimethoxy-N-[3-(4-morpholinyl)propyl]-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide [ACD/IUPAC Name]
6,7-Dimethoxy-1-(3,4,5-trimethoxy-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioic acid (3-morpholin-4-yl-propyl)-amide
6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
6,7-dimethoxy-N-(3-morpholinopropyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-N-[3-(morpholin-4-yl)propyl]-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
929840-02-8 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 651.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.0±3.0 kJ/mol
    Flash Point: 347.8±34.3 °C
    Index of Refraction: 1.574
    Molar Refractivity: 150.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 15.81
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 40.56
    ACD/KOC (pH 7.4): 435.92
    Polar Surface Area: 106 Å2
    Polarizability: 59.8±0.5 10-24cm3
    Surface Tension: 47.0±3.0 dyne/cm
    Molar Volume: 457.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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