N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-3-nitrobenzamide
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | E002-2500 |
| Compound Name: | N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | CN1CCN(CC1)C(c1c(c2ccccc2o1)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2567 |
| logD: | 0.8763 |
| logSw: | -3.0984 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.966 |
| InChI Key: | FGRPDEGFAYVKMV-UHFFFAOYSA-N |