3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0105 |
| Compound Name: | 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C22 H25 Cl N4 O3 S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)CCN1C(c2c(ccs2)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5985 |
| logD: | 3.598 |
| logSw: | -3.857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.13 |
| InChI Key: | NWVSIQQYHZJGIT-UHFFFAOYSA-N |