ChemSpider 2D Image | 2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)acetamide | C17H21FN8OS

2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)acetamide

  • Molecular FormulaC17H21FN8OS
  • Average mass404.465 Da
  • Monoisotopic mass404.154297 Da
  • ChemSpider ID127741157

More details:

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

2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-fluor-2-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)acetamide [ACD/IUPAC Name]
2-{[5,7-Bis(éthylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-fluoro-2-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5,7-bis(ethylamino)-1,2,4-triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-N-(4-fluoro-2-methylphenyl)- [ACD/Index 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: 1.698
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.16
ACD/KOC (pH 5.5): 182.94
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.17
ACD/KOC (pH 7.4): 183.09
Polar Surface Area: 134 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 276.5±7.0 cm3

Click to predict properties on the Chemicalize site


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