rel-(3R,4S)-3-(benzenesulfonyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1796 |
| Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C21 H25 N O6 S2 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)[C@H]1CS(C[C@@H]1S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3925 |
| logD: | 1.3924 |
| logSw: | -2.312 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.85 |
| InChI Key: | ATDLVDMHJNSNII-WIYYLYMNSA-N |