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 |