1-(3,4-dimethoxybenzoyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium--bromide (1/1)
Chemical Structure Depiction of
1-(3,4-dimethoxybenzoyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium--bromide (1/1)
1-(3,4-dimethoxybenzoyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8018-7216 |
| Compound Name: | 1-(3,4-dimethoxybenzoyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolin-2-ium--bromide (1/1) |
| Molecular Weight: | 570.41 |
| Molecular Formula: | C28 H25 F N O6 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1OC)C(c1c2cc(c(cc2cc[n+]1CC(c1ccc(cc1)F)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9897 |
| logD: | 3.9897 |
| logSw: | -4.2391 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.549 |
| InChI Key: | MOGJWTJMALPRKN-UHFFFAOYSA-N |