methyl [2-(4-tert-butylbenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(4-tert-butylbenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(4-tert-butylbenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | E540-0955 |
| Compound Name: | methyl [2-(4-tert-butylbenzene-1-sulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C24 H31 N O6 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCc2cc(c(cc2C1CC(=O)OC)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0894 |
| logD: | 4.0894 |
| logSw: | -4.2671 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.764 |
| InChI Key: | YPTGBXQADHPHQQ-FQEVSTJZSA-N |