ChemSpider 2D Image | N-[(2Z)-3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-4-[butyl(methyl)sulfamoyl]benzamide | C22H26N4O5S3

N-[(2Z)-3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-4-[butyl(methyl)sulfamoyl]benzamide

  • Molecular FormulaC22H26N4O5S3
  • Average mass522.661 Da
  • Monoisotopic mass522.106506 Da
  • ChemSpider ID2607659

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[(2Z)-6-(aminosulfonyl)-3-(2-propen-1-yl)-2(3H)-benzothiazolylidene]-4-[(butylmethylamino)sulfonyl]- [ACD/Index Name]
N-[(2Z)-3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-yliden]-4-[butyl(methyl)sulfamoyl]benzamid [German] [ACD/IUPAC Name]
N-[(2Z)-3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-4-[butyl(methyl)sulfamoyl]benzamide [ACD/IUPAC Name]
N-[(2Z)-3-Allyl-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidène]-4-[butyl(méthyl)sulfamoyl]benzamide [French] [ACD/IUPAC Name]
(Z)-N-(3-allyl-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-4-(N-butyl-N-methylsulfamoyl)benzamide
865180-37-6 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 725.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 105.9±3.0 kJ/mol
    Flash Point: 392.4±35.7 °C
    Index of Refraction: 1.653
    Molar Refractivity: 136.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 3.61
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 128.52
    ACD/KOC (pH 5.5): 1125.09
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 127.47
    ACD/KOC (pH 7.4): 1115.93
    Polar Surface Area: 172 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 57.6±7.0 dyne/cm
    Molar Volume: 373.7±7.0 cm3

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