rel-(3R,4S)-3-(benzylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2097 |
| Compound Name: | rel-(3R,4S)-3-(benzylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C18 H20 F N O4 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1NCc1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3326 |
| logD: | 1.3325 |
| logSw: | -2.2043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.848 |
| InChI Key: | GAQNSKLGPZDVTH-QZTJIDSGSA-N |