1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(phenylmethanesulfonyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(phenylmethanesulfonyl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(phenylmethanesulfonyl)ethan-1-one
Compound characteristics
| Compound ID: | Y030-9181 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(phenylmethanesulfonyl)ethan-1-one |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C18 H19 N O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(CS(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0747 |
| logD: | 2.0747 |
| logSw: | -2.4074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.321 |
| InChI Key: | SDEOOQMDBUTZDC-UHFFFAOYSA-N |