ChemSpider 2D Image | 4-({5-[(trans-4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide | C17H22N8O2S

4-({5-[(trans-4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide

  • Molecular FormulaC17H22N8O2S
  • Average mass402.474 Da
  • Monoisotopic mass402.158630 Da
  • ChemSpider ID24684284

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-({5-[(trans-4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide [ACD/IUPAC Name]
4-({5-[(trans-4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzènesulfonamide [French] [ACD/IUPAC Name]
4-({5-[(trans-4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[5-[(trans-4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]- [ACD/Index Name]
4-[(5-{[(1r,4r)-4-aminocyclohexyl]amino}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzene-1-sulfonamide
4-[(5-{[(1r,4r)-4-aminocyclohexyl]amino}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL380331/
triazolo[1,5-a]pyrimidine 14

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.808
Molar Refractivity: 103.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 80.6±7.0 dyne/cm
Molar Volume: 240.3±7.0 cm3

Click to predict properties on the Chemicalize site


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