{[(1,3-phenylene)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate)
Chemical Structure Depiction of
{[(1,3-phenylene)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate)
{[(1,3-phenylene)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate)
Compound characteristics
| Compound ID: | 8006-7873 |
| Compound Name: | {[(1,3-phenylene)bis(azanylylidene)methanylylidene]-4,1-phenylene} bis(3,5-dinitrobenzoate) |
| Molecular Weight: | 704.57 |
| Molecular Formula: | C34 H20 N6 O12 |
| Smiles: | C(\c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1cccc(c1)/N=C/c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6535 |
| logD: | 5.6528 |
| logSw: | -5.9253 |
| Hydrogen bond acceptors count: | 24 |
| Polar surface area: | 190.775 |
| InChI Key: | OFHDHMVHMWQCQN-UHFFFAOYSA-N |