1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methylbenzene-1-sulfonyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methylbenzene-1-sulfonyl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methylbenzene-1-sulfonyl)ethan-1-one
Compound characteristics
| Compound ID: | Y031-2543 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methylbenzene-1-sulfonyl)ethan-1-one |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C18 H19 N O3 S |
| Smiles: | Cc1ccc(cc1)S(CC(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7958 |
| logD: | 2.7958 |
| logSw: | -3.1654 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.057 |
| InChI Key: | LBAQLQGSHZVYFP-UHFFFAOYSA-N |