4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide
4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K407-0424 |
| Compound Name: | 4-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide |
| Molecular Weight: | 606.66 |
| Molecular Formula: | C30 H33 F3 N2 O6 S |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(N1CCc2cc(c(cc2C1COc1cccc(c1)C(F)(F)F)OC)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9204 |
| logD: | 4.9204 |
| logSw: | -4.6658 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.67 |
| InChI Key: | WYSJLMCXNFSQDT-SANMLTNESA-N |