4-[2-(3-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(3-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(3-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1697-1719 |
| Compound Name: | 4-[2-(3-acetylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C18 H14 N6 O4 S |
| Smiles: | CC(c1cccc(c1)N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4716 |
| logD: | 2.4716 |
| logSw: | -2.9578 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.106 |
| InChI Key: | FVNORXWNYZGSPG-UHFFFAOYSA-N |