2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-5289 |
| Compound Name: | 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 295.29 |
| Molecular Formula: | C17 H13 N O4 |
| Smiles: | COc1cccc(c1)N1C=C(C(O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.5634 |
| logD: | -4.4186 |
| logSw: | -2.1312 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.706 |
| InChI Key: | PUKONLZIGMRMOR-UHFFFAOYSA-N |