7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(3-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Chemical Structure Depiction of
7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(3-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(3-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Compound characteristics
| Compound ID: | D563-0732 |
| Compound Name: | 7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(3-methylbenzene-1-sulfonyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C24 H21 N O5 S2 |
| Smiles: | Cc1cccc(c1)S(c1csc2C(CC(Nc12)=O)c1ccc(c(c1)OC)OCC#C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4493 |
| logD: | 3.4492 |
| logSw: | -3.7502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.19 |
| InChI Key: | GKSGTYJGCLBPAU-SFHVURJKSA-N |