rel-(3R,4S)-3-(benzenesulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1752 |
| Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C19 H21 N O4 S2 |
| Smiles: | C1CN(Cc2ccccc12)[C@H]1CS(C[C@@H]1S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8088 |
| logD: | 1.8088 |
| logSw: | -2.374 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.589 |
| InChI Key: | RFWAXQXHXUWDPZ-RTBURBONSA-N |