4-[6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-[6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide
4-[6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K407-0498 |
| Compound Name: | 4-[6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-3,4-dihydroisoquinoline-2(1H)-carbonyl]-N,N-diethylbenzene-1-sulfonamide |
| Molecular Weight: | 580.74 |
| Molecular Formula: | C32 H40 N2 O6 S |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(C)C)OC)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4355 |
| logD: | 5.4355 |
| logSw: | -5.4542 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.67 |
| InChI Key: | HTSUBGBAEJHCRQ-LJAQVGFWSA-N |