3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0132 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 471.04 |
| Molecular Formula: | C23 H23 Cl N4 O S2 |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])CN1C(c2c(c3ccccc3s2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4949 |
| logD: | 4.0518 |
| logSw: | -4.5413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.034 |
| InChI Key: | BSCLBSXLQHVLLL-UHFFFAOYSA-N |