ChemSpider 2D Image | 2-[(2-{[5-(4-Acetyl-1-piperazinyl)-2-methoxyphenyl]amino}-5-bromo-4-pyrimidinyl)amino]-N-methylbenzenesulfonamide | C24H28BrN7O4S

2-[(2-{[5-(4-Acetyl-1-piperazinyl)-2-methoxyphenyl]amino}-5-bromo-4-pyrimidinyl)amino]-N-methylbenzenesulfonamide

  • Molecular FormulaC24H28BrN7O4S
  • Average mass590.493 Da
  • Monoisotopic mass589.110657 Da
  • ChemSpider ID24808891

More details:

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

2-[(2-{[5-(4-Acetyl-1-piperazinyl)-2-methoxyphenyl]amino}-5-brom-4-pyrimidinyl)amino]-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-[(2-{[5-(4-Acetyl-1-piperazinyl)-2-methoxyphenyl]amino}-5-bromo-4-pyrimidinyl)amino]-N-methylbenzenesulfonamide [ACD/IUPAC Name]
2-[(2-{[5-(4-Acétyl-1-pipérazinyl)-2-méthoxyphényl]amino}-5-bromo-4-pyrimidinyl)amino]-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[2-[[5-(4-acetyl-1-piperazinyl)-2-methoxyphenyl]amino]-5-bromo-4-pyrimidinyl]amino]-N-methyl- [ACD/Index Name]
Kinome_1216

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

Density: 1.5±0.1 g/cm3
Boiling Point: 797.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.3±35.7 °C
Index of Refraction: 1.652
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 112.54
ACD/KOC (pH 5.5): 1012.22
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.79
ACD/KOC (pH 7.4): 1050.44
Polar Surface Area: 137 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 393.3±3.0 cm3

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