7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Compound characteristics
| Compound ID: | D563-0194 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C21 H17 N O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1csc2C(CC(Nc12)=O)c1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.676 |
| logD: | 3.6759 |
| logSw: | -3.8131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.17 |
| InChI Key: | MLXGNQAKRJAQCV-HNNXBMFYSA-N |