3-(4-chlorobenzene-1-sulfonyl)-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-(4-chlorobenzene-1-sulfonyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
3-(4-chlorobenzene-1-sulfonyl)-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: | D563-0268 |
| Compound Name: | 3-(4-chlorobenzene-1-sulfonyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one |
| Molecular Weight: | 487.98 |
| Molecular Formula: | C23 H18 Cl N O5 S2 |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(Nc2c(csc12)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7551 |
| logD: | 3.755 |
| logSw: | -4.4632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.19 |
| InChI Key: | GJLSWVNTKVFUPL-KRWDZBQOSA-N |