2-(4-nitrophenyl)-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
Chemical Structure Depiction of
2-(4-nitrophenyl)-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
2-(4-nitrophenyl)-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
Compound characteristics
| Compound ID: | E002-2672 |
| Compound Name: | 2-(4-nitrophenyl)-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide |
| Molecular Weight: | 486.49 |
| Molecular Formula: | C25 H22 N6 O5 |
| Smiles: | C(C(Nc1c2ccccc2oc1C(N1CCN(CC1)c1ncccn1)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2446 |
| logD: | 3.159 |
| logSw: | -3.3527 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.899 |
| InChI Key: | UCFMFHWYJPSOIN-UHFFFAOYSA-N |