N-(4-bromo-3-methylphenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
N-(4-bromo-3-methylphenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1233 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C19 H17 Br N2 O3 S |
| Smiles: | Cc1cc(ccc1[Br])NC(C1=C(c2c3CCCCc3sc2NC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1263 |
| logD: | 0.4451 |
| logSw: | -4.3959 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.101 |
| InChI Key: | NHSSQPCPEGRMNY-UHFFFAOYSA-N |