3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1)
3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K263-0141 |
| Compound Name: | 3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 503.08 |
| Molecular Formula: | C24 H26 N4 O2 S2 |
| Salt: | HCl |
| Smiles: | COc1ccccc1N1CCN(CCCN2C(c3c(c4ccccc4s3)NC2=S)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.912 |
| logD: | 3.6165 |
| logSw: | -4.0198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.363 |
| InChI Key: | HCLGELNPKUDCJO-UHFFFAOYSA-N |