4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-3-nitrobenzonitrile
Chemical Structure Depiction of
4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-3-nitrobenzonitrile
4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-3-nitrobenzonitrile
Compound characteristics
| Compound ID: | 8008-1834 |
| Compound Name: | 4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-3-nitrobenzonitrile |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C18 H14 N4 O4 |
| Smiles: | C1CC2C=CC1C1C2C(N(C1=O)/N=C/c1ccc(C#N)cc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6642 |
| logD: | 1.6642 |
| logSw: | -2.3894 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.156 |
| InChI Key: | FZBYXJYYJAGPKD-UHFFFAOYSA-N |