3-{5-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{5-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{5-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0151 |
| Compound Name: | 3-{5-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxopentyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C21 H23 Cl N4 O3 S |
| Smiles: | C(CCN1C(c2c(ccs2)NC1=O)=O)CC(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2352 |
| logD: | 3.2348 |
| logSw: | -3.6816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.13 |
| InChI Key: | JHKRPUJCWIXKKJ-UHFFFAOYSA-N |