2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F145-0218 |
| Compound Name: | 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Smiles: | C1CCc2c(C1)c1C(NC(CCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7176 |
| logD: | 3.717 |
| logSw: | -4.8272 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.376 |
| InChI Key: | QRPLBWWNDYADCL-UHFFFAOYSA-N |