ChemSpider 2D Image | 1-Ethyl-3,5-dimethyl-N-(4-{[6-(2-methyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}phenyl)-1H-pyrazole-4-sulfonamide | C21H24N8O2S

1-Ethyl-3,5-dimethyl-N-(4-{[6-(2-methyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}phenyl)-1H-pyrazole-4-sulfonamide

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID58500162

More details:






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

1-Ethyl-3,5-dimethyl-N-(4-{[6-(2-methyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}phenyl)-1H-pyrazol-4-sulfonamid [German] [ACD/IUPAC Name]
1-Ethyl-3,5-dimethyl-N-(4-{[6-(2-methyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}phenyl)-1H-pyrazole-4-sulfonamide [ACD/IUPAC Name]
1-Éthyl-3,5-diméthyl-N-(4-{[6-(2-méthyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}phényl)-1H-pyrazole-4-sulfonamide [French] [ACD/IUPAC Name]
1H-Pyrazole-4-sulfonamide, 1-ethyl-3,5-dimethyl-N-[4-[[6-(2-methyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
1-ethyl-3,5-dimethyl-N-(4-((6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)phenyl)-1H-pyrazole-4-sulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.6±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 26.31
ACD/KOC (pH 5.5): 349.52
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 21.74
ACD/KOC (pH 7.4): 288.84
Polar Surface Area: 128 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 323.0±7.0 cm3

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