2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-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-ethanoisoindole-1,3(2H)-dione
2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C034-0598 |
| Compound Name: | 2-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C23 H26 N4 O5 |
| Smiles: | C1CC2C=CC1C1C2C(N(CCC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6797 |
| logD: | 1.6797 |
| logSw: | -2.0999 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.617 |
| InChI Key: | XTTZGPCMYQSQLO-UHFFFAOYSA-N |