ChemSpider 2D Image | 4-{[6-(1-Azepanyl)-2-methyl-4-pyrimidinyl]amino}-N-(6-chloro-3-pyridazinyl)benzenesulfonamide | C21H24ClN7O2S

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

  • Molecular FormulaC21H24ClN7O2S
  • Average mass473.979 Da
  • Monoisotopic mass473.140076 Da
  • ChemSpider ID67824196

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 712.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 9.35
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 13.33
Polar Surface Area: 121 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

Click to predict properties on the Chemicalize site


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