ChemSpider 2D Image | Ethyl [(2Z)-2-{[3-(pentyloxy)benzoyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetate | C23H27N3O6S2

Ethyl [(2Z)-2-{[3-(pentyloxy)benzoyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC23H27N3O6S2
  • Average mass505.607 Da
  • Monoisotopic mass505.134125 Da
  • ChemSpider ID3293120

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-{[3-(Pentyloxy)benzoyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 6-(aminosulfonyl)-2-[[3-(pentyloxy)benzoyl]imino]-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl [(2Z)-2-{[3-(pentyloxy)benzoyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Ethyl-[(2Z)-2-{[3-(pentyloxy)benzoyl]imino}-6-sulfamoyl-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-(2-((3-(pentyloxy)benzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate
887210-28-8 [RN]
ethyl (Z)-2-(2-((3-(pentyloxy)benzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate
ethyl 2-[(2Z)-2-{[3-(pentyloxy)benzoyl]imino}-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 704.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.0±3.0 kJ/mol
    Flash Point: 379.6±35.7 °C
    Index of Refraction: 1.630
    Molar Refractivity: 131.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 4.52
    ACD/LogD (pH 5.5): 4.16
    ACD/BCF (pH 5.5): 847.19
    ACD/KOC (pH 5.5): 4339.46
    ACD/LogD (pH 7.4): 4.15
    ACD/BCF (pH 7.4): 840.17
    ACD/KOC (pH 7.4): 4303.50
    Polar Surface Area: 162 Å2
    Polarizability: 52.1±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 369.8±7.0 cm3

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