3-[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
3-[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | T990-4464 |
| Compound Name: | 3-[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | Cc1ccccc1S(N1CCN(CC1)C1CCN(Cc2cccnc2)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.996 |
| logD: | 0.9956 |
| logSw: | -1.6014 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.818 |
| InChI Key: | KXIFHKMXBXERBK-IBGZPJMESA-N |