3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid
3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8017-6129 |
| Compound Name: | 3-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 357.36 |
| Molecular Formula: | C19 H19 N O6 |
| Smiles: | COc1cc(CN2Cc3cccc(C(O)=O)c3C2=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1467 |
| logD: | -1.6533 |
| logSw: | -2.7729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.271 |
| InChI Key: | KCOTYEPYPXIJSZ-UHFFFAOYSA-N |