4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8003-4829 |
| Compound Name: | 4-{[2-(4-nitrobenzoyl)hydrazinylidene]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 609.63 |
| Molecular Formula: | C28 H23 N3 O9 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=N/NC(c2ccc(cc2)[N+]([O-])=O)=O)c(c1)OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8569 |
| logD: | 5.8075 |
| logSw: | -5.4942 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.545 |
| InChI Key: | LYCLJJOXAVADIL-UHFFFAOYSA-N |