3-{3-[4-(4-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-(4-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-(4-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: | K263-0138 |
| Compound Name: | 3-{3-[4-(4-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: | COc1ccc(cc1)N1CCN(CCCN2C(c3c(c4ccccc4s3)NC2=S)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0152 |
| logD: | 3.5721 |
| logSw: | -4.072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.578 |
| InChI Key: | FIJHBQMWKNFXJZ-UHFFFAOYSA-N |