2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F714-0480 |
| Compound Name: | 2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1CCc2ccccc2C1CC(N1CCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8527 |
| logD: | 3.8527 |
| logSw: | -3.7965 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.412 |
| InChI Key: | QGIGLIJIIVABHY-NRFANRHFSA-N |