3-(benzenesulfonyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
3-(benzenesulfonyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Compound characteristics
| Compound ID: | D563-0036 |
| Compound Name: | 3-(benzenesulfonyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one |
| Molecular Weight: | 453.53 |
| Molecular Formula: | C23 H19 N O5 S2 |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(Nc2c(csc12)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9753 |
| logD: | 2.9752 |
| logSw: | -3.3892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.19 |
| InChI Key: | VEDSLNHKKYAJDU-KRWDZBQOSA-N |