methyl [2-(3-chloro-4-methoxybenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(3-chloro-4-methoxybenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(3-chloro-4-methoxybenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0880 |
| Compound Name: | methyl [2-(3-chloro-4-methoxybenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 497.99 |
| Molecular Formula: | C23 H28 Cl N O7 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8627 |
| logD: | 2.8627 |
| logSw: | -3.3997 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.554 |
| InChI Key: | ULYZDORAICEFCS-IBGZPJMESA-N |