2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8017-3528 |
| Compound Name: | 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C18 H17 N O5 |
| Smiles: | COc1ccc(CN2Cc3cccc(C(O)=O)c3C2=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0584 |
| logD: | -1.7416 |
| logSw: | -2.57 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.554 |
| InChI Key: | RBCMSWHIMFOXRR-UHFFFAOYSA-N |