4-hydroxy-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-N-[3-(methylsulfanyl)phenyl]-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
4-hydroxy-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: | M435-1280 |
| Compound Name: | 4-hydroxy-N-[3-(methylsulfanyl)phenyl]-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(C1=C(c2c3CCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4127 |
| logD: | -0.2685 |
| logSw: | -3.8427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.101 |
| InChI Key: | BYTSDAZRVABJGC-UHFFFAOYSA-N |