methyl 4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
methyl 4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Compound characteristics
| Compound ID: | D563-0198 |
| Compound Name: | methyl 4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C22 H19 N O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1csc2C(CC(Nc12)=O)c1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7692 |
| logD: | 3.7691 |
| logSw: | -4.0417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.229 |
| InChI Key: | SLHRHWXYDGPCSM-KRWDZBQOSA-N |