2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8015-5739 |
| Compound Name: | 2-[2-(3,4-diethoxyphenyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H21 N O6 |
| Smiles: | CCOc1ccc(CCN2C(c3ccc(cc3C2=O)C(O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0678 |
| logD: | -0.9097 |
| logSw: | -3.1021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.298 |
| InChI Key: | UPIGFQGKHLJYHC-UHFFFAOYSA-N |