2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K781-1857 |
| Compound Name: | 2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | C(CN1C(c2ccccc2C1=O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0943 |
| logD: | 2.0943 |
| logSw: | -2.727 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.504 |
| InChI Key: | XRFZCJJKAPOUNL-UHFFFAOYSA-N |