methyl 3-[(2-acetyl-4-hydroxy-3-methyl-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(2-acetyl-4-hydroxy-3-methyl-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonyl)amino]benzoate
methyl 3-[(2-acetyl-4-hydroxy-3-methyl-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M435-1612 |
| Compound Name: | methyl 3-[(2-acetyl-4-hydroxy-3-methyl-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonyl)amino]benzoate |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C19 H16 N2 O6 S |
| Smiles: | CC(c1c(C)c2C(=C(C(Nc3cccc(c3)C(=O)OC)=O)C(Nc2s1)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0881 |
| logD: | -3.0455 |
| logSw: | -2.8935 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.181 |
| InChI Key: | XRMCDPCJEDYMSM-UHFFFAOYSA-N |