1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3-methylpyrrolidine-2,5-dione
Chemical Structure Depiction of
1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3-methylpyrrolidine-2,5-dione
1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3-methylpyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | K807-4334 |
| Compound Name: | 1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrophenyl}-3-methylpyrrolidine-2,5-dione |
| Molecular Weight: | 428.87 |
| Molecular Formula: | C21 H21 Cl N4 O4 |
| Smiles: | CC1CC(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0306 |
| logD: | 3.0306 |
| logSw: | -3.4049 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.922 |
| InChI Key: | XLAFFMXUIKCFEY-CQSZACIVSA-N |