rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1887 |
| Compound Name: | rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C22 H27 N O6 S2 |
| Smiles: | Cc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCc2cc(c(cc2C1)OC)OC)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0009 |
| logD: | 2.0008 |
| logSw: | -2.6339 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.85 |
| InChI Key: | DMUXMZUBQUUTRB-DENIHFKCSA-N |