methyl 4-{[2-(5-bromofuran-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(5-bromofuran-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[2-(5-bromofuran-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | K407-0185 |
| Compound Name: | methyl 4-{[2-(5-bromofuran-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 530.37 |
| Molecular Formula: | C25 H24 Br N O7 |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1ccc(o1)[Br])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3292 |
| logD: | 4.3292 |
| logSw: | -4.2792 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.673 |
| InChI Key: | SRBMTIHQGRLSES-IBGZPJMESA-N |