ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl}carbamate | C23H32N6O3S2

2-Methyl-2-propanyl {1-[6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl}carbamate

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID4152707

More details:






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

{1-[6-({2-[(2,6-Diméthylphényl)amino]-2-oxoéthyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-méthylbutyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[6-[[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]thio]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3548.33
ACD/KOC (pH 5.5): 12097.07
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3548.11
ACD/KOC (pH 7.4): 12096.34
Polar Surface Area: 164 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

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