1-{3-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-4-methylphenyl}pyrrolidin-2-one
Chemical Structure Depiction of
1-{3-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-4-methylphenyl}pyrrolidin-2-one
1-{3-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-4-methylphenyl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | 8017-5686 |
| Compound Name: | 1-{3-[4-(4-methoxy-2-nitrophenyl)piperazine-1-sulfonyl]-4-methylphenyl}pyrrolidin-2-one |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C22 H26 N4 O6 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)OC)(=O)=O)N1CCCC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5132 |
| logD: | 3.5132 |
| logSw: | -4.0396 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.35 |
| InChI Key: | UGBMVIXCLQHAKA-UHFFFAOYSA-N |