ChemSpider 2D Image | 2-Methyl-2-propanyl {5-[6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl}carbamate | C23H32N6O3S2

2-Methyl-2-propanyl {5-[6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl}carbamate

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID4075479

More details:






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

{5-[6-({2-[(2,5-Diméthylphényl)amino]-2-oxoéthyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {5-[6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{5-[6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[5-[6-[[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]thio]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]-, 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: 1.644
Molar Refractivity: 138.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2011.85
ACD/KOC (pH 5.5): 8059.43
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2011.95
ACD/KOC (pH 7.4): 8059.81
Polar Surface Area: 164 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 382.3±7.0 cm3

Click to predict properties on the Chemicalize site






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