rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1960 |
| Compound Name: | rel-(3R,4S)-3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(4-fluorobenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C22 H25 F N2 O6 S2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)[C@H]1CS(C[C@@H]1S(c1ccc(cc1)F)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2957 |
| logD: | 1.0559 |
| logSw: | -2.4055 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.583 |
| InChI Key: | QKMXOUCPCHRCHG-DENIHFKCSA-N |