ChemSpider 2D Image | GSK-1268992 | C21H23N7O3S

GSK-1268992

  • Molecular FormulaC21H23N7O3S
  • Average mass453.517 Da
  • Monoisotopic mass453.158295 Da
  • ChemSpider ID32701046

More details:

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

1414375-49-7 [RN]
5-[(4-{[3-(Hydroxymethyl)-2-methyl-2H-indazol-6-yl](methyl)amino}-2-pyrimidinyl)amino]-2-methylbenzenesulfonamide [ACD/IUPAC Name]
5-[(4-{[3-(Hydroxyméthyl)-2-méthyl-2H-indazol-6-yl](méthyl)amino}-2-pyrimidinyl)amino]-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
5-[(4-{[3-(Hydroxymethyl)-2-methyl-2H-indazol-6-yl](methyl)amino}-2-pyrimidinyl)amino]-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 5-[[4-[[3-(hydroxymethyl)-2-methyl-2H-indazol-6-yl]methylamino]-2-pyrimidinyl]amino]-2-methyl- [ACD/Index Name]
GSK-1268992
5-((4-((3-(Hydroxymethyl)-2-methyl-indazol-6-yl)-methyl-amino)pyrimidin-2-yl)amino)-2-methyl-benzenesulfonamide
5-[[4-[[3-(hydroxymethyl)-2-methylindazol-6-yl]-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide

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

SX3LHF7K66 [DBID]
UNII:SX3LHF7K66 [DBID]
UNII-SX3LHF7K66 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 781.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.7±35.7 °C
Index of Refraction: 1.715
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 58.61
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.05
ACD/KOC (pH 7.4): 239.48
Polar Surface Area: 148 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 308.5±7.0 cm3

Click to predict properties on the Chemicalize site


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