2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0323 |
| Compound Name: | 2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H24 N4 O5 |
| Smiles: | C(CN1C(C2C3CC(C=C3)C2C1=O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3131 |
| logD: | 1.3131 |
| logSw: | -2.0431 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.349 |
| InChI Key: | GSMJIXGYXGKFDC-UHFFFAOYSA-N |