ChemSpider 2D Image | Ethyl 4-methyl-2-({6-({2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}amino)-9-[4-(methylsulfonyl)benzyl]-9H-purin-2-yl}amino)-1,3-thiazole-5-carboxylate | C26H31N7O6S2

Ethyl 4-methyl-2-({6-({2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}amino)-9-[4-(methylsulfonyl)benzyl]-9H-purin-2-yl}amino)-1,3-thiazole-5-carboxylate

  • Molecular FormulaC26H31N7O6S2
  • Average mass601.698 Da
  • Monoisotopic mass601.177734 Da
  • ChemSpider ID8364437

More details:

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

4-Méthyl-2-({6-({2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}amino)-9-[4-(méthylsulfonyl)benzyl]-9H-purin-2-yl}amino)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[[6-[[2-(1,1-dimethylethoxy)-2-oxoethyl]amino]-9-[[4-(methylsulfonyl)phenyl]methyl]-9H-purin-2-yl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-2-({6-({2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}amino)-9-[4-(methylsulfonyl)benzyl]-9H-purin-2-yl}amino)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-methyl-2-({6-({2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}amino)-9-[4-(methylsulfonyl)benzyl]-9H-purin-2-yl}amino)-1,3-thiazol-5-carboxylat [German] [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: 824.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.2±37.1 °C
Index of Refraction: 1.669
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.53
ACD/KOC (pH 5.5): 1934.05
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.71
ACD/KOC (pH 7.4): 1997.97
Polar Surface Area: 204 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 417.8±7.0 cm3

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