4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1697-1682 |
| Compound Name: | 4-[2-(4-chloro-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 402.82 |
| Molecular Formula: | C16 H11 Cl N6 O3 S |
| Smiles: | c1ccc(cc1)C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9747 |
| logD: | 2.9648 |
| logSw: | -3.5919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.979 |
| InChI Key: | VGNQQHNGWHPCLH-UHFFFAOYSA-N |