2-[4-(2-cyano-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-[4-(2-cyano-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[4-(2-cyano-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8008-5267 |
| Compound Name: | 2-[4-(2-cyano-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 406.35 |
| Molecular Formula: | C21 H14 N2 O7 |
| Smiles: | CCOC(C(\C#N)=C(/c1ccc(cc1)N1C(c2ccc(cc2C1=O)C(O)=O)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7286 |
| logD: | -1.2489 |
| logSw: | -2.9524 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.649 |
| InChI Key: | XBXAHOZZTYBNPH-UHFFFAOYSA-N |