rel-(3R,4S)-3-(cycloheptylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(cycloheptylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(cycloheptylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2162 |
| Compound Name: | rel-(3R,4S)-3-(cycloheptylamino)-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 403.53 |
| Molecular Formula: | C18 H26 F N O4 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1NC1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8657 |
| logD: | 2.8653 |
| logSw: | -3.2348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.905 |
| InChI Key: | XKTZDEYRQBGSAH-QZTJIDSGSA-N |