2-{3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2512 |
| Compound Name: | 2-{3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 529.43 |
| Molecular Formula: | C25 H22 Br F N2 O3 S |
| Smiles: | CCOc1cc(cc(c1OCc1ccccc1F)[Br])C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.273 |
| logD: | 6.2252 |
| logSw: | -5.4005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.325 |
| InChI Key: | YCFNFPFHBTVZIE-UHFFFAOYSA-N |