3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0084 |
| Compound Name: | 3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | C(CCC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)CCN1C(c2c(ccs2)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0621 |
| logD: | 3.0616 |
| logSw: | -3.4099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.511 |
| InChI Key: | ZTBDKVSKPMDFTK-UHFFFAOYSA-N |