4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1697-1678 |
| Compound Name: | 4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 437.26 |
| Molecular Formula: | C16 H10 Cl2 N6 O3 S |
| Smiles: | c1ccc(cc1)C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1c(cc(cc1[Cl])[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3583 |
| logD: | 2.6239 |
| logSw: | -3.7622 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.884 |
| InChI Key: | ZHLFKISHGSDQHU-UHFFFAOYSA-N |