methyl [2-(benzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(benzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(benzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | J036-0108 |
| Compound Name: | methyl [2-(benzenesulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 433.52 |
| Molecular Formula: | C22 H27 N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4012 |
| logD: | 2.4012 |
| logSw: | -2.9721 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | DZCYAESKXKYURP-IBGZPJMESA-N |