2-{[4-(dimethylamino)phenyl]methyl}-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
2-{[4-(dimethylamino)phenyl]methyl}-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
2-{[4-(dimethylamino)phenyl]methyl}-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8020-7913 |
| Compound Name: | 2-{[4-(dimethylamino)phenyl]methyl}-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C18 H18 N2 O3 |
| Smiles: | CN(C)c1ccc(CN2Cc3cccc(C(O)=O)c3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5754 |
| logD: | -1.2246 |
| logSw: | -2.7821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.098 |
| InChI Key: | JWIRTLQHSPOKTL-UHFFFAOYSA-N |