4-hydroxy-7-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
4-hydroxy-7-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
4-hydroxy-7-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1462 |
| Compound Name: | 4-hydroxy-7-methyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | CC1CCc2c3C(=C(C(Nc4cccc(c4)SC)=O)C(Nc3sc2C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8466 |
| logD: | 0.1654 |
| logSw: | -4.2967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.101 |
| InChI Key: | CWQOMSFHAIOMGE-SNVBAGLBSA-N |