2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}acetamide
Chemical Structure Depiction of
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}acetamide
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}acetamide
Compound characteristics
| Compound ID: | K889-1579 |
| Compound Name: | 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}acetamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C22 H24 N6 O5 S |
| Smiles: | Cc1c2C(N(CC(NCC(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)=O)C=Nc2sc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8149 |
| logD: | 1.8149 |
| logSw: | -2.6083 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.747 |
| InChI Key: | PCICYEINXABMEY-UHFFFAOYSA-N |