rel-(3R,4S)-3-(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-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1843 |
| Compound Name: | rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 405.53 |
| Molecular Formula: | C20 H23 N O4 S2 |
| Smiles: | Cc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCc2ccccc2C1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.4173 |
| logD: | 2.4173 |
| logSw: | -2.6217 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.589 |
| InChI Key: | SSGNLKTUDBMARH-WOJBJXKFSA-N |