3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T990-4552 |
| Compound Name: | 3-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(CC1)C1CCN(Cc2cccnc2)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6296 |
| logD: | 1.6292 |
| logSw: | -1.8164 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.818 |
| InChI Key: | VVKRSHBGSXSDJV-FQEVSTJZSA-N |