methyl {6,7-dimethoxy-2-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
methyl {6,7-dimethoxy-2-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
methyl {6,7-dimethoxy-2-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | E540-0977 |
| Compound Name: | methyl {6,7-dimethoxy-2-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C24 H31 N O6 S |
| Smiles: | CC(C)Cc1ccc(cc1)S(N1CCc2cc(c(cc2C1CC(=O)OC)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9754 |
| logD: | 3.9754 |
| logSw: | -4.1196 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.764 |
| InChI Key: | GUNWKAVCNJTTSB-NRFANRHFSA-N |