methyl [6,7-dimethoxy-2-(2,4,6-trimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [6,7-dimethoxy-2-(2,4,6-trimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [6,7-dimethoxy-2-(2,4,6-trimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0959 |
| Compound Name: | methyl [6,7-dimethoxy-2-(2,4,6-trimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C23 H29 N O6 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCc2cc(c(cc2C1CC(=O)OC)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5993 |
| logD: | 3.5993 |
| logSw: | -3.6796 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.764 |
| InChI Key: | FJNNPPPIMJSUEQ-IBGZPJMESA-N |