3-{4-[(2-chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-yl}-1-(3-methylbutyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-{4-[(2-chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-yl}-1-(3-methylbutyl)pyrrolidin-2-one
3-{4-[(2-chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-yl}-1-(3-methylbutyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T990-3808 |
| Compound Name: | 3-{4-[(2-chloro-4-fluorophenyl)methanesulfonyl]piperazin-1-yl}-1-(3-methylbutyl)pyrrolidin-2-one |
| Molecular Weight: | 445.98 |
| Molecular Formula: | C20 H29 Cl F N3 O3 S |
| Smiles: | CC(C)CCN1CCC(C1=O)N1CCN(CC1)S(Cc1ccc(cc1[Cl])F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1675 |
| logD: | 3.1668 |
| logSw: | -3.428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.445 |
| InChI Key: | OHROANMSIILNAC-IBGZPJMESA-N |