[6,7-diethoxy-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
[6,7-diethoxy-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
[6,7-diethoxy-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0848 |
| Compound Name: | [6,7-diethoxy-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 471.61 |
| Molecular Formula: | C22 H26 N O6 S |
| Salt: | K+ |
| Smiles: | CCOc1cc2CCN(C(CC([O-])=O)c2cc1OCC)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2689 |
| logD: | 2.2689 |
| logSw: | -2.7965 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.729 |
| InChI Key: | IEHPXMJRGQTAKB-IBGZPJMESA-M |