methyl 4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate
methyl 4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4917-0249 |
| Compound Name: | methyl 4-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=N/N2C(C3C4CCC(C=C4)C3C2=O)=O)o1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2433 |
| logD: | 3.2433 |
| logSw: | -3.3603 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.763 |
| InChI Key: | QKTIJZULWBDZDZ-UHFFFAOYSA-N |