ChemSpider 2D Image | 3-{[7-(2,6-Dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino}-N-[2-(1-piperazinyl)ethyl]benzenesulfonamide | C28H33N7O2S

3-{[7-(2,6-Dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino}-N-[2-(1-piperazinyl)ethyl]benzenesulfonamide

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID34950400

More details:

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

3-{[7-(2,6-Dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino}-N-[2-(1-piperazinyl)ethyl]benzenesulfonamide [ACD/IUPAC Name]
3-{[7-(2,6-Diméthylphényl)-5-méthyl-1,2,4-benzotriazin-3-yl]amino}-N-[2-(1-pipérazinyl)éthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
3-{[7-(2,6-Dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino}-N-[2-(1-piperazinyl)ethyl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(1-piperazinyl)ethyl]- [ACD/Index Name]
US8481536, 425

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 6.31
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 27.05
ACD/KOC (pH 7.4): 121.09
Polar Surface Area: 121 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 420.0±3.0 cm3

Click to predict properties on the Chemicalize site


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