rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2207 |
| Compound Name: | rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 425.95 |
| Molecular Formula: | C19 H20 Cl N O4 S2 |
| Smiles: | C1CN(Cc2ccccc12)[C@H]1CS(C[C@@H]1S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.5886 |
| logD: | 2.5886 |
| logSw: | -3.0585 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.589 |
| InChI Key: | JEUCYEPORAJCNC-OALUTQOASA-N |