2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3902 |
| Compound Name: | 2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C19 H17 N O4 |
| Smiles: | COc1ccc(CCN2C=C(C(O)=O)c3ccccc3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8804 |
| logD: | -2.711 |
| logSw: | -2.3753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.131 |
| InChI Key: | JYXLFTZGYWWJIG-UHFFFAOYSA-N |