4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid
Chemical Structure Depiction of
4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid
4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8019-8157 |
| Compound Name: | 4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C18 H17 N O3 S |
| Smiles: | C1CCc2c(C1)c1C(CC(Nc1s2)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7808 |
| logD: | 0.8093 |
| logSw: | -4.0515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.019 |
| InChI Key: | YTZPSRRECXHMIO-ZDUSSCGKSA-N |