ChemSpider 2D Image | 2-[4-Cyano-5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)-1H-imidazol-1-yl]ethyl [(4-methylphenyl)sulfonyl]carbamate | C22H22N6O7S2

2-[4-Cyano-5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)-1H-imidazol-1-yl]ethyl [(4-methylphenyl)sulfonyl]carbamate

  • Molecular FormulaC22H22N6O7S2
  • Average mass546.576 Da
  • Monoisotopic mass546.099121 Da
  • ChemSpider ID8920489

More details:






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

[(4-Méthylphényl)sulfonyl]carbamate de 2-[4-cyano-5-({[(4-méthylphényl)sulfonyl]carbamoyl}amino)-1H-imidazol-1-yl]éthyle [French] [ACD/IUPAC Name]
2-[4-Cyan-5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)-1H-imidazol-1-yl]ethyl-[(4-methylphenyl)sulfonyl]carbamat [German] [ACD/IUPAC Name]
2-[4-Cyano-5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)-1H-imidazol-1-yl]ethyl [(4-methylphenyl)sulfonyl]carbamate [ACD/IUPAC Name]
Carbamic acid, N-[(4-methylphenyl)sulfonyl]-, 2-[4-cyano-5-[[[[(4-methylphenyl)sulfonyl]amino]carbonyl]amino]-1H-imidazol-1-yl]ethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.78
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 367.0±7.0 cm3

Click to predict properties on the Chemicalize site






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