2-(benzylsulfanyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-(benzylsulfanyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | K407-0546 |
| Compound Name: | 2-(benzylsulfanyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C27 H28 F N O4 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(CSCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7644 |
| logD: | 4.7644 |
| logSw: | -4.5421 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.046 |
| InChI Key: | JHEXJUVRHUNPOF-DEOSSOPVSA-N |