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

Ethyl 2-{[(2-hydroxy-3-isopropoxypropyl)(3-methoxypropyl)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 ID22664441

More details:

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

2-{[(2-Hydroxy-3-isopropoxypropyl)(3-méthoxypropyl)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-isopropoxypropyl)(3-methoxypropyl)amino]methyl}-5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[(2-hydroxy-3-isopropoxypropyl)(3-methoxypropyl)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, 3,4-dihydro-2-[[[2-hydroxy-3-(1-methylethoxy)propyl](3-methoxypropyl)amino]methyl]-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: 1.578
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 10.26
ACD/KOC (pH 5.5): 152.70
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.63
ACD/KOC (pH 7.4): 292.13
Polar Surface Area: 138 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 355.1±7.0 cm3

Click to predict properties on the Chemicalize site


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