methyl [2-(3-chloro-4-fluorobenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(3-chloro-4-fluorobenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(3-chloro-4-fluorobenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0966 |
| Compound Name: | methyl [2-(3-chloro-4-fluorobenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 457.9 |
| Molecular Formula: | C20 H21 Cl F N O6 S |
| Smiles: | COC(CC1c2cc(c(cc2CCN1S(c1ccc(c(c1)[Cl])F)(=O)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7909 |
| logD: | 2.7909 |
| logSw: | -3.4599 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.764 |
| InChI Key: | NOQDATWNMGTJJE-KRWDZBQOSA-N |