4-[2-(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1697-1716 |
| Compound Name: | 4-[2-(2-cyanophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 393.38 |
| Molecular Formula: | C17 H11 N7 O3 S |
| Smiles: | C(c1ccccc1N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S)#N |
| Stereo: | ACHIRAL |
| logP: | 2.502 |
| logD: | 2.5018 |
| logSw: | -3.037 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.638 |
| InChI Key: | GMJXABWTVRKXFS-UHFFFAOYSA-N |