2-(benzylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-(benzylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y030-7690 |
| Compound Name: | 2-(benzylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 297.42 |
| Molecular Formula: | C18 H19 N O S |
| Smiles: | C1CN(Cc2ccccc12)C(CSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7767 |
| logD: | 3.7767 |
| logSw: | -3.9585 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.0212 |
| InChI Key: | FGIAIRIEMKLEON-UHFFFAOYSA-N |