2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(piperidin-1-yl)ethan-1-one
2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F788-0040 |
| Compound Name: | 2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1CCc2ccccc2C1CC(N1CCCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0716 |
| logD: | 4.0716 |
| logSw: | -3.9657 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.046 |
| InChI Key: | LLIJFQHOYLUOCF-QFIPXVFZSA-N |