ChemSpider 2D Image | 5-[({3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzenesulfonyl fluoride | C22H27ClFN7O4S

5-[({3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzenesulfonyl fluoride

  • Molecular FormulaC22H27ClFN7O4S
  • Average mass540.011 Da
  • Monoisotopic mass539.151794 Da
  • ChemSpider ID242331

More details:

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

5-[({3-[2-Chlor-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzolsulfonylfluorid [German] [ACD/IUPAC Name]
5-[({3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzenesulfonyl fluoride [ACD/IUPAC Name]
Benzenesulfonyl fluoride, 5-[[[[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl]amino]carbonyl]amino]-2-methyl- [ACD/Index Name]
Fluorure de 5-[({3-[2-chloro-4-(4,6-diamino-2,2-diméthyl-1,3,5-triazin-1(2H)-yl)phénoxy]propyl}carbamoyl)amino]-2-méthylbenzènesulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 132.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.22
Polar Surface Area: 173 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

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