ChemSpider 2D Image | 4-(1H-Pyrazol-1-yl)-N-(2-{[6-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]amino}ethyl)benzenesulfonamide | C21H24N8O2S

4-(1H-Pyrazol-1-yl)-N-(2-{[6-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]amino}ethyl)benzenesulfonamide

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID58421661

More details:

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

4-(1H-Pyrazol-1-yl)-N-(2-{[6-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]amino}ethyl)benzenesulfonamide [ACD/IUPAC Name]
4-(1H-Pyrazol-1-yl)-N-(2-{[6-(3,4,5-triméthyl-1H-pyrazol-1-yl)-3-pyridazinyl]amino}éthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-(1H-Pyrazol-1-yl)-N-(2-{[6-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]amino}ethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-(1H-pyrazol-1-yl)-N-[2-[[6-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3-pyridazinyl]amino]ethyl]- [ACD/Index Name]
4-(1H-pyrazol-1-yl)-N-(2-((6-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)amino)ethyl)benzenesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.3±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.09
ACD/KOC (pH 5.5): 442.77
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.43
ACD/KOC (pH 7.4): 447.17
Polar Surface Area: 128 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 323.8±7.0 cm3

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