ethyl (2E)-2-cyano-3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-3-hydroxyprop-2-enoate
Chemical Structure Depiction of
ethyl (2E)-2-cyano-3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-3-hydroxyprop-2-enoate
ethyl (2E)-2-cyano-3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-3-hydroxyprop-2-enoate
Compound characteristics
| Compound ID: | 3296-0057 |
| Compound Name: | ethyl (2E)-2-cyano-3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-3-hydroxyprop-2-enoate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | CCOC(C(\C#N)=C(/c1ccc(cc1)N1C(C2C3CC(C=C3)C2C1=O)=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5221 |
| logD: | 0.1088 |
| logSw: | -2.0764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.085 |
| InChI Key: | ZUUWZTOCWKSJGN-UHFFFAOYSA-N |