rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-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-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1705 |
| Compound Name: | rel-(3R,4S)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C19 H23 N O6 S3 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.2478 |
| logD: | 1.2478 |
| logSw: | -2.2824 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.868 |
| InChI Key: | UELIQBXQEMBMOD-CRAIPNDOSA-N |