3-(4-methylbenzene-1-sulfonyl)-7-{3-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Chemical Structure Depiction of
3-(4-methylbenzene-1-sulfonyl)-7-{3-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
3-(4-methylbenzene-1-sulfonyl)-7-{3-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Compound characteristics
| Compound ID: | D563-0212 |
| Compound Name: | 3-(4-methylbenzene-1-sulfonyl)-7-{3-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C23 H19 N O4 S2 |
| Smiles: | Cc1ccc(cc1)S(c1csc2C(CC(Nc12)=O)c1cccc(c1)OCC#C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8332 |
| logD: | 3.8332 |
| logSw: | -3.9513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.472 |
| InChI Key: | IRBVUSGBBKAVKG-IBGZPJMESA-N |