rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2149 |
| Compound Name: | rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C20 H23 F N2 O6 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1N1CCN(CC1)C(c1ccco1)=O)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6783 |
| logD: | 0.6783 |
| logSw: | -2.0965 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.962 |
| InChI Key: | GMQSPEVESKHRPH-IEBWSBKVSA-N |