{[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
{[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methylbenzene-1-sulfonate)
{[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8005-5306 |
| Compound Name: | {[(2-benzyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 738.84 |
| Molecular Formula: | C38 H34 N4 O8 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=N/NC(C(Cc2ccccc2)C(N/N=C/c2ccc(cc2)OS(c2ccc(C)cc2)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2737 |
| logD: | 7.2722 |
| logSw: | -5.7225 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 142.393 |
| InChI Key: | SZCKVEQBTVOTNS-UHFFFAOYSA-N |