rel-(3R,4S)-3-(benzenesulfonyl)-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1778 |
| Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C22 H26 N2 O6 S2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)[C@H]1CS(C[C@@H]1S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.0816 |
| logD: | 0.8418 |
| logSw: | -2.2878 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.583 |
| InChI Key: | HWQLRMZJSQFYOO-DENIHFKCSA-N |