rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2088 |
| Compound Name: | rel-(3R,4S)-3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 415.54 |
| Molecular Formula: | C19 H26 F N O4 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1NCCC1CCCCC=1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8682 |
| logD: | 1.8681 |
| logSw: | -2.333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.882 |
| InChI Key: | KWHMNGPMBOFSKP-RTBURBONSA-N |