3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Chemical Structure Depiction of
3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Compound characteristics
| Compound ID: | M306-1661 |
| Compound Name: | 3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)C1CCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8049 |
| logD: | 3.8049 |
| logSw: | -4.053 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.732 |
| InChI Key: | HELSGJWTUHCWPO-UHFFFAOYSA-N |