ChemSpider 2D Image | N-[4-(Methylsulfanyl)-1-oxo-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-2-butanyl]-3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide | C22H34N6O2S2

N-[4-(Methylsulfanyl)-1-oxo-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-2-butanyl]-3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

  • Molecular FormulaC22H34N6O2S2
  • Average mass478.674 Da
  • Monoisotopic mass478.218475 Da
  • ChemSpider ID121943231

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole-6-propanamide, 3-methyl-N-[3-(methylthio)-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]propyl]- [ACD/Index Name]
N-[4-(Methylsulfanyl)-1-oxo-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-2-butanyl]-3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamid [German] [ACD/IUPAC Name]
N-[4-(Methylsulfanyl)-1-oxo-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-2-butanyl]-3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide [ACD/IUPAC Name]
N-[4-(Méthylsulfanyl)-1-oxo-1-(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)-2-butanyl]-3-(3-méthyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide [French] [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: 1.692
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.15
ACD/KOC (pH 5.5): 1858.78
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.16
ACD/KOC (pH 7.4): 1858.81
Polar Surface Area: 146 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 342.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement