4-{4-[(4-fluorophenyl)methoxy]phenyl}-7-methyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Chemical Structure Depiction of
4-{4-[(4-fluorophenyl)methoxy]phenyl}-7-methyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
4-{4-[(4-fluorophenyl)methoxy]phenyl}-7-methyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-6811 |
| Compound Name: | 4-{4-[(4-fluorophenyl)methoxy]phenyl}-7-methyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C25 H24 F N O2 S |
| Smiles: | CC1CCc2c3C(CC(Nc3sc2C1)=O)c1ccc(cc1)OCc1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8099 |
| logD: | 5.8047 |
| logSw: | -5.5786 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.838 |
| InChI Key: | XAYQSZHVKYOPMO-UHFFFAOYSA-N |