ChemSpider 2D Image | N-[4-({3-[4-Ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)phenyl]acetamide | C21H27N7O3S2

N-[4-({3-[4-Ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)phenyl]acetamide

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID28390113

More details:






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

Acetamide, N-[4-[[3-[4-ethyl-5-(ethylthio)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-1-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]- [ACD/Index Name]
N-[4-({3-[4-Ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[4-({3-[4-Ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-[4-({3-[4-Éthyl-5-(éthylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-méthyl-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}sulfonyl)phényl]acétamide [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: 1.707
Molar Refractivity: 130.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 32.02
ACD/KOC (pH 5.5): 416.06
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.02
ACD/KOC (pH 7.4): 416.06
Polar Surface Area: 149 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

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