rel-(3R,4S)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2320 |
| Compound Name: | rel-(3R,4S)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 445.55 |
| Molecular Formula: | C19 H27 N O7 S2 |
| Smiles: | CCOc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCC2(CC1)OCCO2)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7414 |
| logD: | 0.7414 |
| logSw: | -2.1421 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.488 |
| InChI Key: | XJCWRECABKAGBX-QZTJIDSGSA-N |