ethyl (4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}phenoxy)acetate
ethyl (4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 4917-0276 |
| Compound Name: | ethyl (4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}phenoxy)acetate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | CCOC(COc1ccc(/C=N/N2C(C3C4CCC(C=C4)C3C2=O)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4593 |
| logD: | 1.4593 |
| logSw: | -2.2102 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.677 |
| InChI Key: | CBPALDDKEDMHFD-UHFFFAOYSA-N |