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 |