5-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide
Chemical Structure Depiction of
5-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide
5-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide
Compound characteristics
| Compound ID: | E957-1048 |
| Compound Name: | 5-nitro-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C23 H19 N5 O6 |
| Smiles: | C1CN(CCN1C(c1c(c2ccccc2o1)NC(c1ccc([N+]([O-])=O)o1)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0102 |
| logD: | 1.8918 |
| logSw: | -3.2578 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.54 |
| InChI Key: | YSTHGGLGJLTCHP-UHFFFAOYSA-N |