3-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
Chemical Structure Depiction of
3-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
3-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
Compound characteristics
| Compound ID: | E002-2684 |
| Compound Name: | 3-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C24 H20 N6 O5 |
| Smiles: | C1CN(CCN1C(c1c(c2ccccc2o1)NC(c1cccc(c1)[N+]([O-])=O)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.2386 |
| logD: | 1.8582 |
| logSw: | -3.5232 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.112 |
| InChI Key: | NMUXYGCTZVVRSA-UHFFFAOYSA-N |