3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0165 |
| Compound Name: | 3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | C(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)CN1C(c2c(ccs2)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.052 |
| logD: | 2.0515 |
| logSw: | -2.7033 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.511 |
| InChI Key: | AINCKYNWQSAXRB-UHFFFAOYSA-N |