1-(4-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(4-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
1-(4-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | K807-4620 |
| Compound Name: | 1-(4-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione |
| Molecular Weight: | 472.93 |
| Molecular Formula: | C23 H25 Cl N4 O5 |
| Smiles: | CC1CC(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)Cc1cc(ccc1OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7987 |
| logD: | 2.7623 |
| logSw: | -3.3359 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.832 |
| InChI Key: | BSVSXHFNEUCFJC-OAHLLOKOSA-N |