3-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
Chemical Structure Depiction of
3-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
3-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
Compound characteristics
| Compound ID: | E002-2465 |
| Compound Name: | 3-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C25 H21 N5 O5 |
| Smiles: | C1CN(CCN1C(c1c(c2ccccc2o1)NC(c1cccc(c1)[N+]([O-])=O)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7415 |
| logD: | 2.3611 |
| logSw: | -4.1914 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.261 |
| InChI Key: | YEHNSDDXPQAJTI-UHFFFAOYSA-N |