4-[2-(4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1697-1677 |
| Compound Name: | 4-[2-(4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C16 H12 N6 O3 S |
| Smiles: | c1ccc(cc1)C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5148 |
| logD: | 2.5145 |
| logSw: | -2.9225 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.279 |
| InChI Key: | DXEKLTPCHMAESO-UHFFFAOYSA-N |