3-(2,4-dimethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(2,4-dimethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(2,4-dimethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-1820 |
| Compound Name: | 3-(2,4-dimethylphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C21 H23 N O5 |
| Smiles: | Cc1ccc(C2C(C(O)=O)c3cc(c(cc3C(N2C)=O)OC)OC)c(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5951 |
| logD: | -0.1266 |
| logSw: | -2.514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.357 |
| InChI Key: | XIQAYFNZPLRFJL-UHFFFAOYSA-N |