Found 1 result

Search term: NS(=O)(=O)c1ccc(Nc2cc(OCC3CCCCC3)nc3ncnn23)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-{[5-(Cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide | C18H22N6O3S

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

  • Molecular FormulaC18H22N6O3S
  • Average mass402.471 Da
  • Monoisotopic mass402.147400 Da
  • ChemSpider ID21395290

More details:

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

4-{[5-(Cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide [ACD/IUPAC Name]
4-{[5-(Cyclohexylméthoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{[5-(Cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]- [ACD/Index Name]
4-{[5-(cyclohexylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzene-1-sulfonamide
4-{[5-(cyclohexylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
triazolo[1,5-a]pyrimidine 5

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: 1.732
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.47
ACD/KOC (pH 5.5): 343.09
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.37
ACD/KOC (pH 7.4): 341.69
Polar Surface Area: 133 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 261.4±7.0 cm3

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