ChemSpider 2D Image | 4-{[6-(1-Azepanyl)-2-ethyl-4-pyrimidinyl]amino}-N-(6-chloro-3-pyridazinyl)benzenesulfonamide | C22H26ClN7O2S

4-{[6-(1-Azepanyl)-2-ethyl-4-pyrimidinyl]amino}-N-(6-chloro-3-pyridazinyl)benzenesulfonamide

  • Molecular FormulaC22H26ClN7O2S
  • Average mass488.005 Da
  • Monoisotopic mass487.155731 Da
  • ChemSpider ID67824206

More details:






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

4-{[6-(1-Azepanyl)-2-ethyl-4-pyrimidinyl]amino}-N-(6-chlor-3-pyridazinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[6-(1-Azepanyl)-2-ethyl-4-pyrimidinyl]amino}-N-(6-chloro-3-pyridazinyl)benzenesulfonamide [ACD/IUPAC Name]
4-{[6-(1-Azépanyl)-2-éthyl-4-pyrimidinyl]amino}-N-(6-chloro-3-pyridazinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, N-(6-chloro-3-pyridazinyl)-4-[[2-ethyl-6-(hexahydro-1H-azepin-1-yl)-4-pyrimidinyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 716.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.0±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 13.84
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 19.94
Polar Surface Area: 121 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

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