4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K407-0164 |
| Compound Name: | 4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 578.61 |
| Molecular Formula: | C28 H29 F3 N2 O6 S |
| Smiles: | CN(C)S(c1ccc(cc1)C(N1CCc2cc(c(cc2C1COc1cccc(c1)C(F)(F)F)OC)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3339 |
| logD: | 4.3339 |
| logSw: | -4.3764 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.237 |
| InChI Key: | UBBXPDHDUKHLFI-DEOSSOPVSA-N |