methyl [2-(4-bromobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(4-bromobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(4-bromobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0901 |
| Compound Name: | methyl [2-(4-bromobenzene-1-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 512.42 |
| Molecular Formula: | C22 H26 Br N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4201 |
| logD: | 3.4201 |
| logSw: | -3.7467 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | VGTQDQPRYZQSAE-IBGZPJMESA-N |