rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[(3-phenylpropyl)amino]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[(3-phenylpropyl)amino]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[(3-phenylpropyl)amino]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2153 |
| Compound Name: | rel-(3R,4S)-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-4-[(3-phenylpropyl)amino]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 425.54 |
| Molecular Formula: | C20 H24 F N O4 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1NCCCc1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5222 |
| logD: | 2.5219 |
| logSw: | -2.8105 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.69 |
| InChI Key: | IKIYTDCEWYNCOI-WOJBJXKFSA-N |