methyl 4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoate
methyl 4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoate
Compound characteristics
| Compound ID: | 8019-8158 |
| Compound Name: | methyl 4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoate |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C19 H19 N O3 S |
| Smiles: | COC(c1ccc(cc1)C1CC(Nc2c1c1CCCCc1s2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0233 |
| logD: | 4.0181 |
| logSw: | -4.2135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.784 |
| InChI Key: | QLONCFPLOURWIU-AWEZNQCLSA-N |