ChemSpider 2D Image | 5-[(4-{(2,3-Dimethyl-2H-indazol-6-yl)[(~2~H_3_)methyl]amino}-2-pyrimidinyl)amino]-2-methylbenzenesulfonamide | C21H20D3N7O2S

5-[(4-{(2,3-Dimethyl-2H-indazol-6-yl)[(2H3)methyl]amino}-2-pyrimidinyl)amino]-2-methylbenzenesulfonamide

  • Molecular FormulaC21H20D3N7O2S
  • Average mass440.536 Da
  • Monoisotopic mass440.182220 Da
  • ChemSpider ID110404643

  • Non-standard isotope - Non-standard isotope

More details:

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

5-[(4-{(2,3-Dimethyl-2H-indazol-6-yl)[(2H3)methyl]amino}-2-pyrimidinyl)amino]-2-methylbenzenesulfonamide [ACD/IUPAC Name]
5-[(4-{(2,3-Diméthyl-2H-indazol-6-yl)[(2H3)méthyl]amino}-2-pyrimidinyl)amino]-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
5-[(4-{(2,3-Dimethyl-2H-indazol-6-yl)[(2H3)methyl]amino}-2-pyrimidinyl)amino]-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methyl-d3-amino]-2-pyrimidinyl]amino]-2-methyl- [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: 728.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.6±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 15.27
ACD/KOC (pH 5.5): 163.19
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.03
ACD/KOC (pH 7.4): 652.52
Polar Surface Area: 127 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 310.4±7.0 cm3

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