4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1926 |
| Compound Name: | 4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C20 H17 F3 N2 O3 S |
| Smiles: | C1CCc2c3C(=C(C(Nc4cccc(c4)C(F)(F)F)=O)C(Nc3sc2CC1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4909 |
| logD: | 0.8097 |
| logSw: | -4.3991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.432 |
| InChI Key: | DPSGDKOPCOEDKX-UHFFFAOYSA-N |