methyl {6,7-diethoxy-2-[4-(propan-2-yl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
methyl {6,7-diethoxy-2-[4-(propan-2-yl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
methyl {6,7-diethoxy-2-[4-(propan-2-yl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | J036-0105 |
| Compound Name: | methyl {6,7-diethoxy-2-[4-(propan-2-yl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 475.6 |
| Molecular Formula: | C25 H33 N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9244 |
| logD: | 3.9244 |
| logSw: | -3.9715 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | FWLHXXLBQYGGFD-QFIPXVFZSA-N |