3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-1828 |
| Compound Name: | 3-(3-bromophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 420.26 |
| Molecular Formula: | C19 H18 Br N O5 |
| Smiles: | CN1C(C(C(O)=O)c2cc(c(cc2C1=O)OC)OC)c1cccc(c1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3622 |
| logD: | -0.3594 |
| logSw: | -2.838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.357 |
| InChI Key: | YURSJHBAUCGMAX-UHFFFAOYSA-N |