methyl 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
methyl 3-[(4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carbonyl)amino]benzoate
methyl 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: | M435-1488 |
| Compound Name: | methyl 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: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CC1CCc2c3C(=C(C(Nc4cccc(c4)C(=O)OC)=O)C(Nc3sc2C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.657 |
| logD: | -0.0242 |
| logSw: | -4.272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.275 |
| InChI Key: | QJIGGLVPRNCAIS-SNVBAGLBSA-N |