2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2520 |
| Compound Name: | 2-{3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C25 H23 F N2 O3 S |
| Smiles: | CCOc1cc(ccc1OCc1ccc(cc1)F)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0018 |
| logD: | 4.9955 |
| logSw: | -5.037 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.238 |
| InChI Key: | PJXXZEKMXDCLQM-UHFFFAOYSA-N |