4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoic acid
4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoic acid
Compound characteristics
| Compound ID: | D563-0197 |
| Compound Name: | 4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoic acid |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C21 H17 N O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1csc2C(CC(Nc12)=O)c1ccc(cc1)C(O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5267 |
| logD: | 0.5552 |
| logSw: | -3.6372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.463 |
| InChI Key: | PAMIXZCODAYLAG-INIZCTEOSA-N |