N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-4-methylbenzene-1-sulfonamide
N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G501-0419 |
| Compound Name: | N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | Cc1ccc(cc1)S(NCC(c1ccc(cc1)N(C)C)N1CCc2ccccc2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2644 |
| logD: | 5.2598 |
| logSw: | -5.1536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.453 |
| InChI Key: | KTNXBBSIRWNUCU-SANMLTNESA-N |