N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1234 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 442.84 |
| Molecular Formula: | C19 H14 Cl F3 N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(=C(C(Nc3cc(ccc3[Cl])C(F)(F)F)=O)C(Nc1s2)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.3749 |
| logD: | 0.6937 |
| logSw: | -4.5479 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.403 |
| InChI Key: | SNRPXXJSZZNJSZ-UHFFFAOYSA-N |