1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-[2-(2-chlorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium
Chemical Structure Depiction of
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-[2-(2-chlorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-[2-(2-chlorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium
Compound characteristics
| Compound ID: | 8018-6606 |
| Compound Name: | 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-[2-(2-chlorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium |
| Molecular Weight: | 651.78 |
| Molecular Formula: | C28 H26 Br Cl N O5 |
| Salt: | Br- |
| Smiles: | COc1cc(Cc2c3cc(c(cc3cc[n+]2CC(c2ccccc2[Cl])=O)OC)OC)c(cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4129 |
| logD: | 5.4129 |
| logSw: | -5.901 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.292 |
| InChI Key: | HFWCUJCCCHLHDE-UHFFFAOYSA-N |