4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
Compound ID: | 1652-2179 |
Compound Name: | 4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 499.27 |
Molecular Formula: | C21 H12 Cl2 N6 O5 |
Smiles: | c1ccc(cc1)N1C(C(\C(c2ccc(cc2)[N+]([O-])=O)=N1)=N/Nc1c(cc(cc1[Cl])[N+]([O-])=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.2787 |
logD: | 5.1592 |
logSw: | -6.0768 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 111.484 |
InChI Key: | GNNQKVAWXXOVNI-UHFFFAOYSA-N |