ChemSpider 2D Image | 4-[2-({(E)-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzenesulfonamide | C25H21N5O3S2

4-[2-({(E)-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzenesulfonamide

  • Molecular FormulaC25H21N5O3S2
  • Average mass503.596 Da
  • Monoisotopic mass503.108582 Da
  • ChemSpider ID4661353

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[2-({(E)-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)ethyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-[2-({(E)-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzenesulfonamide [ACD/IUPAC Name]
4-[2-({(E)-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phényl-1,5-dihydro-4H-pyrazol-4-ylidène]méthyl}amino)éthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-[[(E)-[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-phenyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]- [ACD/Index Name]
352681-50-6 [RN]
4-[2-({[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzenesulfonamide [ACD/IUPAC Name]
4-[2-[[(E)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]amino]ethyl]benzenesulfonamide
4-{2-[(1-Benzothiazol-2-yl-5-oxo-3-phenyl-1,5-dihydro-pyrazol-4-ylidenemethyl)-amino]-ethyl}-benzenesulfonamide

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

BAS 01257259 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 707.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.5±3.0 kJ/mol
    Flash Point: 381.8±35.7 °C
    Index of Refraction: 1.733
    Molar Refractivity: 138.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.74
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 141.95
    ACD/KOC (pH 5.5): 1148.15
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 169.10
    ACD/KOC (pH 7.4): 1367.73
    Polar Surface Area: 154 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 65.2±7.0 dyne/cm
    Molar Volume: 345.8±7.0 cm3

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