ChemSpider 2D Image | Methyl [(2Z)-2-{[4-(dibutylsulfamoyl)benzoyl]imino}-6-methoxy-1,3-benzothiazol-3(2H)-yl]acetate | C26H33N3O6S2

Methyl [(2Z)-2-{[4-(dibutylsulfamoyl)benzoyl]imino}-6-methoxy-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC26H33N3O6S2
  • Average mass547.687 Da
  • Monoisotopic mass547.181091 Da
  • ChemSpider ID3725825

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-{[4-(Dibutylsulfamoyl)benzoyl]imino}-6-méthoxy-1,3-benzothiazol-3(2H)-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 2-[[4-[(dibutylamino)sulfonyl]benzoyl]imino]-6-methoxy-, methyl ester, (2Z)- [ACD/Index Name]
Methyl [(2Z)-2-{[4-(dibutylsulfamoyl)benzoyl]imino}-6-methoxy-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Methyl-[(2Z)-2-{[4-(dibutylsulfamoyl)benzoyl]imino}-6-methoxy-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]
(Z)-methyl 2-(2-((4-(N,N-dibutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate
1005729-37-2 [RN]
methyl (Z)-2-(2-((4-(N,N-dibutylsulfamoyl)benzoyl)imino)-6-methoxybenzo[d]thiazol-3(2H)-yl)acetate
methyl 2-[(2Z)-2-{[4-(dibutylsulfamoyl)benzoyl]imino}-6-methoxy-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: 1.3±0.1 g/cm3
    Boiling Point: 686.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 369.2±34.3 °C
    Index of Refraction: 1.599
    Molar Refractivity: 147.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 6.28
    ACD/LogD (pH 5.5): 4.95
    ACD/BCF (pH 5.5): 3374.72
    ACD/KOC (pH 5.5): 11670.96
    ACD/LogD (pH 7.4): 4.95
    ACD/BCF (pH 7.4): 3374.72
    ACD/KOC (pH 7.4): 11670.96
    Polar Surface Area: 139 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 430.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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