ethyl 3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate
ethyl 3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M435-1288 |
| Compound Name: | ethyl 3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(C1=C(c2c3CCCCc3sc2NC1=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7337 |
| logD: | 0.0525 |
| logSw: | -4.1551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.855 |
| InChI Key: | NUIHYBNOKXSXNB-UHFFFAOYSA-N |