N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-nitrobenzamide
N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | E002-2399 |
| Compound Name: | N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-nitrobenzamide |
| Molecular Weight: | 488.47 |
| Molecular Formula: | C26 H21 F N4 O5 |
| Smiles: | C1CN(CCN1C(c1c(c2ccccc2o1)NC(c1cccc(c1)[N+]([O-])=O)=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.2524 |
| logD: | 2.8721 |
| logSw: | -4.4487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.449 |
| InChI Key: | GDKRHYHPDZWNHT-UHFFFAOYSA-N |