methyl [6,7-diethoxy-2-(2-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [6,7-diethoxy-2-(2-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [6,7-diethoxy-2-(2-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | J036-0111 |
| Compound Name: | methyl [6,7-diethoxy-2-(2-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C23 H29 N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccccc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7446 |
| logD: | 2.7446 |
| logSw: | -3.1864 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | QNNKOIHSTWRODV-IBGZPJMESA-N |