1-(azepan-1-yl)-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
1-(azepan-1-yl)-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F714-0472 |
| Compound Name: | 1-(azepan-1-yl)-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1CCc2ccccc2C1CC(N1CCCCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5676 |
| logD: | 4.5676 |
| logSw: | -4.2409 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.377 |
| InChI Key: | GRQYNXLAMVCCOH-QHCPKHFHSA-N |