methyl [6,7-diethoxy-2-(3-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [6,7-diethoxy-2-(3-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [6,7-diethoxy-2-(3-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
| Compound ID: | J036-0110 |
| Compound Name: | methyl [6,7-diethoxy-2-(3-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
| Molecular Weight: | 451.51 |
| Molecular Formula: | C22 H26 F N O6 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6756 |
| logD: | 2.6756 |
| logSw: | -3.1077 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.924 |
| InChI Key: | ZJZSGULVMHFJLS-IBGZPJMESA-N |