{[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(3-methylbenzoate)
Chemical Structure Depiction of
{[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(3-methylbenzoate)
{[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(3-methylbenzoate)
Compound characteristics
| Compound ID: | 8004-4505 |
| Compound Name: | {[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-2-nitro-4,1-phenylene} bis(3-methylbenzoate) |
| Molecular Weight: | 756.73 |
| Molecular Formula: | C40 H32 N6 O10 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=N/NC(C(Cc2ccccc2)C(N/N=C/c2ccc(c(c2)[N+]([O-])=O)OC(c2cccc(C)c2)=O)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8819 |
| logD: | 6.8798 |
| logSw: | -5.7772 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 177.96 |
| InChI Key: | SJZVIUVWXLYAAZ-UHFFFAOYSA-N |