2-cyano-5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}-3-methylhexa-2,4-dienoic acid
Chemical Structure Depiction of
2-cyano-5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}-3-methylhexa-2,4-dienoic acid
2-cyano-5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}-3-methylhexa-2,4-dienoic acid
Compound characteristics
| Compound ID: | 8019-8786 |
| Compound Name: | 2-cyano-5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}-3-methylhexa-2,4-dienoic acid |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C17 H15 N3 O4 |
| Smiles: | C/C(=C\C(\C)=C(/C#N)C(O)=O)NCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3644 |
| logD: | -5.7083 |
| logSw: | -2.1116 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.031 |
| InChI Key: | SHXODJATFBMBOT-UHFFFAOYSA-N |