3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K840-0021 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C22 H23 F N4 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8281 |
| logD: | 2.8281 |
| logSw: | -3.1753 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.815 |
| InChI Key: | ZTOONMRCDKXEBF-UHFFFAOYSA-N |