2-{(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-{(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4917-0245 |
| Compound Name: | 2-{(E)-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 419.27 |
| Molecular Formula: | C19 H19 Br N2 O4 |
| Smiles: | CCOc1cc(/C=N/N2C(C3C4CCC(C=C4)C3C2=O)=O)cc(c1O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5377 |
| logD: | 2.5115 |
| logSw: | -2.3239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.709 |
| InChI Key: | UXMGCSHRUMMJGB-UHFFFAOYSA-N |