1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylmethanesulfonyl)propan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylmethanesulfonyl)propan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylmethanesulfonyl)propan-1-one
Compound characteristics
| Compound ID: | Y031-1240 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(phenylmethanesulfonyl)propan-1-one |
| Molecular Weight: | 343.44 |
| Molecular Formula: | C19 H21 N O3 S |
| Smiles: | C(CS(Cc1ccccc1)(=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.993 |
| logD: | 1.993 |
| logSw: | -2.3072 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.321 |
| InChI Key: | IGYYPYVMAPUIEF-UHFFFAOYSA-N |