4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl]piperazine-1-carbaldehyde
Chemical Structure Depiction of
4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl]piperazine-1-carbaldehyde
4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl]piperazine-1-carbaldehyde
Compound characteristics
| Compound ID: | K807-1227 |
| Compound Name: | 4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl]piperazine-1-carbaldehyde |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C20 H20 N4 O5 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)C=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.601 |
| logD: | 0.601 |
| logSw: | -1.8079 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.426 |
| InChI Key: | SWIQJRZZXLDPKB-UHFFFAOYSA-N |