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

4-[2-({[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 ID5210360

More details:

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

4-[2-({[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-({[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-({[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-[[[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-phenyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]- [ACD/Index Name]

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): 3.22
ACD/BCF (pH 5.5): 164.59
ACD/KOC (pH 5.5): 1331.24
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.45
ACD/KOC (pH 7.4): 1370.57
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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