methyl [6,7-diethoxy-2-(4-ethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [6,7-diethoxy-2-(4-ethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [6,7-diethoxy-2-(4-ethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | J036-0107 |
| Compound Name: | methyl [6,7-diethoxy-2-(4-ethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C24 H31 N O6 S |
| Smiles: | CCc1ccc(cc1)S(N1CCc2cc(c(cc2C1CC(=O)OC)OCC)OCC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5169 |
| logD: | 3.5169 |
| logSw: | -3.7651 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | CHACXMVQCOVHNY-NRFANRHFSA-N |