ChemSpider 2D Image | 4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]benzamide | C26H26N4O6S3

4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]benzamide

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID18388730

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3,4-Dihydro-2(1H)-isochinolinylsulfonyl)-N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-yliden]benzamid [German] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)-N-[(2Z)-3-(2-méthoxyéthyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidène]benzamide [French] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[(2Z)-3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]benzamide [ACD/IUPAC Name]
Benzamide, N-[(2Z)-6-(aminosulfonyl)-3-(2-methoxyethyl)-2(3H)-benzothiazolylidene]-4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]- [ACD/Index Name]
(Z)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(3-(2-methoxyethyl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide
865160-26-5 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 820.7±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.3±3.0 kJ/mol
    Flash Point: 450.2±37.1 °C
    Index of Refraction: 1.709
    Molar Refractivity: 151.9±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 3.18
    ACD/LogD (pH 5.5): 3.10
    ACD/BCF (pH 5.5): 134.50
    ACD/KOC (pH 5.5): 1162.32
    ACD/LogD (pH 7.4): 3.10
    ACD/BCF (pH 7.4): 133.38
    ACD/KOC (pH 7.4): 1152.67
    Polar Surface Area: 182 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 66.0±7.0 dyne/cm
    Molar Volume: 388.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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