3-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-1818 |
| Compound Name: | 3-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 438.25 |
| Molecular Formula: | C19 H17 Br F N O5 |
| Smiles: | CN1C(C(C(O)=O)c2cc(c(cc2C1=O)OC)OC)c1cc(ccc1F)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5326 |
| logD: | -0.1891 |
| logSw: | -2.7228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.357 |
| InChI Key: | WYFNGWRKMBANAH-UHFFFAOYSA-N |