ChemSpider 2D Image | 2-Methyl-2-propanyl 2-({[5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate | C21H27N7O3S2

2-Methyl-2-propanyl 2-({[5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID22552627

More details:






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

2-({2-[5,7-Diméthyl-2-(méthylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acétyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-({[5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-({[5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-carboxylat [German] [ACD/IUPAC Name]
Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-[[2-[5,7-dimethyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]amino]-6,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index 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: 1.716
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.09
ACD/KOC (pH 5.5): 1266.11
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 98.54
ACD/KOC (pH 7.4): 820.32
Polar Surface Area: 168 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 331.6±7.0 cm3

Click to predict properties on the Chemicalize site






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