methyl [2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | J036-0109 |
| Compound Name: | methyl [2-(3-chlorobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 467.97 |
| Molecular Formula: | C22 H26 Cl N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1cccc(c1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1807 |
| logD: | 3.1807 |
| logSw: | -3.4536 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | ONYOPSARYUKQDK-IBGZPJMESA-N |