2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3914 |
| Compound Name: | 2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C13 H13 N O4 |
| Smiles: | COCCN1C=C(C(O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 0.003 |
| logD: | -4.5883 |
| logSw: | -2.0482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.201 |
| InChI Key: | BBPYCFANIJHLGI-UHFFFAOYSA-N |