ChemSpider 2D Image | N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanamide | C28H35N5O6S2

N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanamide

  • Molecular FormulaC28H35N5O6S2
  • Average mass601.737 Da
  • Monoisotopic mass601.202881 Da
  • ChemSpider ID26237918

More details:

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

N-{[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
pentanamide, N-[[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethyl-

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 212.47
ACD/KOC (pH 5.5): 687.17
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 44.25
ACD/KOC (pH 7.4): 143.10
Polar Surface Area: 181 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

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