rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2332 |
| Compound Name: | rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C21 H27 N3 O5 S2 |
| Smiles: | CCOc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCN(CC1)c1ccccn1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7509 |
| logD: | 1.7303 |
| logSw: | -2.3108 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.823 |
| InChI Key: | XIQHOBRWBZHNQV-WOJBJXKFSA-N |