rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1779 |
| Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9719 |
| logD: | 1.9719 |
| logSw: | -2.5601 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.188 |
| InChI Key: | NUNPIGCKYFFDCM-NHCUHLMSSA-N |