N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | M435-1361 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C23 H26 N2 O5 S |
| Smiles: | CC1CCc2c3C(=C(C(NCCc4ccc(c(c4)OC)OC)=O)C(Nc3sc2C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5372 |
| logD: | 0.2445 |
| logSw: | -2.9018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.526 |
| InChI Key: | DZPUIEOMXHYDKR-GFCCVEGCSA-N |