4-hydroxy-2-oxo-N-[2-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
4-hydroxy-2-oxo-N-[2-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
4-hydroxy-2-oxo-N-[2-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1305 |
| Compound Name: | 4-hydroxy-2-oxo-N-[2-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CC(C)c1ccccc1NC(C1=C(c2c3CCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7576 |
| logD: | 0.0764 |
| logSw: | -4.2184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.403 |
| InChI Key: | CQAJEVXKVHMQCG-UHFFFAOYSA-N |