methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Compound characteristics
| Compound ID: | D563-0082 |
| Compound Name: | methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C21 H17 N O5 S2 |
| Smiles: | COC(c1ccc(cc1)C1CC(Nc2c(csc12)S(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1608 |
| logD: | 3.1607 |
| logSw: | -3.385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.229 |
| InChI Key: | XNZJQVSNKHJMSK-INIZCTEOSA-N |