rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1787 |
| Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C18 H22 N4 O4 S2 |
| Smiles: | C1CN(CCN1c1ncccn1)[C@H]1CS(C[C@@H]1S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.694 |
| logD: | 0.694 |
| logSw: | -1.9378 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.55 |
| InChI Key: | PZWHLDWGWKBUBB-IAGOWNOFSA-N |