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ChemSpider 2D Image | 4-tert-butyl-N-{5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-yloxy)ethoxy]pyrimidin-4-yl}benzenesulfonamide | C27H29N5O6S

4-tert-butyl-N-{5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-yloxy)ethoxy]pyrimidin-4-yl}benzenesulfonamide

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID10002418

More details:






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4-tert-butyl-N-{5-(3-methoxyphenoxy)-6-[2-(pyrimidin-2-yloxy)ethoxy]pyrimidin-4-yl}benzenesulfonamide
Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[5-(3-methoxyphenoxy)-6-[2-(2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl]- [ACD/Index Name]
N-{5-(3-Methoxyphenoxy)-6-[2-(2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl}-4-(2-methyl-2-propanyl)benzenesulfonamide [ACD/IUPAC Name]
N-{5-(3-Méthoxyphénoxy)-6-[2-(2-pyrimidinyloxy)éthoxy]-4-pyrimidinyl}-4-(2-méthyl-2-propanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{5-(3-Methoxyphenoxy)-6-[2-(2-pyrimidinyloxy)ethoxy]-4-pyrimidinyl}-4-(2-methyl-2-propanyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
CHEMBL114201

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 15.01
ACD/KOC (pH 5.5): 82.76
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 36.62
Polar Surface Area: 143 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 421.6±3.0 cm3

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