ethyl 3-[(4-hydroxy-7-methyl-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-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate
ethyl 3-[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M435-1470 |
| Compound Name: | ethyl 3-[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(C1=C(c2c3CCC(C)Cc3sc2NC1=O)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1677 |
| logD: | 0.4865 |
| logSw: | -4.3244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.855 |
| InChI Key: | XQKQLWDPDLJFJC-LLVKDONJSA-N |