2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | G107-0207 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C26 H25 N O6 |
| Smiles: | COc1ccc(CCN2C(C(C(O)=O)c3ccccc3C2=O)c2ccccc2O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2018 |
| logD: | 0.4801 |
| logSw: | -3.3046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.847 |
| InChI Key: | FJWBMPGQFPUEPT-UHFFFAOYSA-N |