N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F798-0617 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C21 H19 N5 O5 S2 |
| Smiles: | C1CC(CN2C(c3c(ccs3)n3c2nnc3SCC(Nc2ccc3c(c2)OCO3)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3834 |
| logD: | 2.3834 |
| logSw: | -2.9155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.249 |
| InChI Key: | ZYUWGNQJHPYWSB-CYBMUJFWSA-N |