rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2298 |
| Compound Name: | rel-(3R,4S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(4-ethoxybenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C21 H25 N O5 S2 |
| Smiles: | CCOc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCc2ccccc2C1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.3628 |
| logD: | 2.3628 |
| logSw: | -2.5926 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.713 |
| InChI Key: | FBHAIPTVWSRFJQ-NHCUHLMSSA-N |