7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Chemical Structure Depiction of
7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one
Compound characteristics
| Compound ID: | J025-0230 |
| Compound Name: | 7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-6,7-dihydrothieno[3,2-b]pyridin-5(4H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C25 H23 N O3 S |
| Smiles: | CCOc1cc(ccc1OCC#C)C1CC(Nc2c(csc12)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6821 |
| logD: | 4.6821 |
| logSw: | -4.4608 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.997 |
| InChI Key: | FRPXGVKSSPPBEC-LJQANCHMSA-N |