ChemSpider 2D Image | N-{4-(Methylsulfanyl)-1-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-1-oxo-2-butanyl}benzenesulfonamide | C21H27N7O3S2

N-{4-(Methylsulfanyl)-1-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-1-oxo-2-butanyl}benzenesulfonamide

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID33364532

More details:






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

Benzenesulfonamide, N-[3-(methylthio)-1-[[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]carbonyl]propyl]- [ACD/Index Name]
N-{4-(Methylsulfanyl)-1-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-1-oxo-2-butanyl}benzenesulfonamide [ACD/IUPAC Name]
N-{4-(Méthylsulfanyl)-1-[4-(5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-pipérazinyl]-1-oxo-2-butanyl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-{4-(Methylsulfanyl)-1-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-1-oxo-2-butanyl}benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.88
ACD/KOC (pH 5.5): 123.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.89
ACD/KOC (pH 7.4): 123.32
Polar Surface Area: 146 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 337.8±7.0 cm3

Click to predict properties on the Chemicalize site






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