2-[(E)-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(E)-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-[(E)-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1935-0022 |
| Compound Name: | 2-[(E)-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C25 H23 N3 O6 |
| Smiles: | COc1cc(/C=N/N2C(C3C4CCC(C=C4)C3C2=O)=O)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9763 |
| logD: | 2.9763 |
| logSw: | -3.3786 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.346 |
| InChI Key: | SUHLTSQBLMHNBG-UHFFFAOYSA-N |