ChemSpider 2D Image | 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-5-ylsulfonylamino)-3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide | C21H23N7O3S2

2-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-5-ylsulfonylamino)-3-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide

  • Molecular FormulaC21H23N7O3S2
  • Average mass485.582 Da
  • Monoisotopic mass485.130371 Da
  • ChemSpider ID22373377

More details:

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: 1.727
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 139 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 324.8±7.0 cm3

Click to predict properties on the Chemicalize site


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