ChemSpider 2D Image | 4-Bromo-N-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)benzenesulfonamide | C18H21BrN6O2S

4-Bromo-N-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)benzenesulfonamide

  • Molecular FormulaC18H21BrN6O2S
  • Average mass465.367 Da
  • Monoisotopic mass464.062988 Da
  • ChemSpider ID58383304

More details:

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

4-Brom-N-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-Bromo-N-(2-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino}ethyl)benzenesulfonamide [ACD/IUPAC Name]
4-Bromo-N-(2-{[6-(3,5-diméthyl-1H-pyrazol-1-yl)-2-méthyl-4-pyrimidinyl]amino}éthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-bromo-N-[2-[[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
4-bromo-N-(2-((6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl)amino)ethyl)benzenesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 641.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.8±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 277.24
ACD/KOC (pH 5.5): 1752.44
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 401.30
ACD/KOC (pH 7.4): 2536.67
Polar Surface Area: 110 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 301.3±7.0 cm3

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