ChemSpider 2D Image | Ethyl 2-{[{2-hydroxy-3-[(2-methyl-2-propanyl)oxy]propyl}(2-methoxyethyl)amino]methyl}-5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate | C21H33N3O6S

Ethyl 2-{[{2-hydroxy-3-[(2-methyl-2-propanyl)oxy]propyl}(2-methoxyethyl)amino]methyl}-5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC21H33N3O6S
  • Average mass455.568 Da
  • Monoisotopic mass455.209015 Da
  • ChemSpider ID22664200

More details:

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

2-{[{2-Hydroxy-3-[(2-méthyl-2-propanyl)oxy]propyl}(2-méthoxyéthyl)amino]méthyl}-5-méthyl-4-oxo-1,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[{2-hydroxy-3-[(2-methyl-2-propanyl)oxy]propyl}(2-methoxyethyl)amino]methyl}-5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[{2-hydroxy-3-[(2-methyl-2-propanyl)oxy]propyl}(2-methoxyethyl)amino]methyl}-5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[[[3-(1,1-dimethylethoxy)-2-hydroxypropyl](2-methoxyethyl)amino]methyl]-3,4-dihydro-5-methyl-4-oxo-, ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 12.81
ACD/KOC (pH 5.5): 202.14
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.08
ACD/KOC (pH 7.4): 253.78
Polar Surface Area: 138 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 359.6±7.0 cm3

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