1-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
1-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
1-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8012-8747 |
| Compound Name: | 1-{3-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 496.83 |
| Molecular Formula: | C23 H26 Br N O4 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CCNC(c3cc(c(c(c3)[Br])OCC#C)OC)c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1864 |
| logD: | -0.1856 |
| logSw: | -3.3051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.8 |
| InChI Key: | QGWLRKFYBIJAGV-QFIPXVFZSA-N |