5-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide
Chemical Structure Depiction of
5-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide
5-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide
Compound characteristics
| Compound ID: | E957-1065 |
| Compound Name: | 5-nitro-N-{2-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}furan-2-carboxamide |
| Molecular Weight: | 462.42 |
| Molecular Formula: | C22 H18 N6 O6 |
| Smiles: | C1CN(CCN1C(c1c(c2ccccc2o1)NC(c1ccc([N+]([O-])=O)o1)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.5072 |
| logD: | 1.3889 |
| logSw: | -2.78 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.391 |
| InChI Key: | RYLJMUPJQOFCDD-UHFFFAOYSA-N |