1-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
1-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | K807-4621 |
| Compound Name: | 1-(4-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C22 H23 Cl N4 O4 |
| Smiles: | CC1CC(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7227 |
| logD: | 2.6998 |
| logSw: | -3.4395 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.202 |
| InChI Key: | DEOADKIAIVZQSV-OAHLLOKOSA-N |