3-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-1719 |
| Compound Name: | 3-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C21 H23 N O7 |
| Smiles: | CCOc1cc(ccc1O)C1C(C(O)=O)c2cc(c(cc2C(N1C)=O)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2805 |
| logD: | -1.4412 |
| logSw: | -2.2522 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.116 |
| InChI Key: | NDWNFEKGSDLQNB-UHFFFAOYSA-N |