methyl [6,7-diethoxy-2-(phenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [6,7-diethoxy-2-(phenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [6,7-diethoxy-2-(phenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | J036-0101 |
| Compound Name: | methyl [6,7-diethoxy-2-(phenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C23 H29 N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.234 |
| logD: | 2.234 |
| logSw: | -2.8956 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.818 |
| InChI Key: | IACICZWTDKUMCH-FQEVSTJZSA-N |