ChemSpider 2D Image | N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | C27H32N6O3S

N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID35034913

More details:






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

Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
N-(2-Methyl-2-propanyl)-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)-4-pyrimidinyl]amino}benzenesulfonamide [ACD/IUPAC Name]
N-(2-Méthyl-2-propanyl)-3-{[5-méthyl-2-({4-[2-(1H-pyrrol-1-yl)éthoxy]phényl}amino)-4-pyrimidinyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Methyl-2-propanyl)-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)-4-pyrimidinyl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 251.11
ACD/KOC (pH 5.5): 1168.27
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1134.55
ACD/KOC (pH 7.4): 5278.41
Polar Surface Area: 119 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

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