4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1697-1681 |
| Compound Name: | 4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C17 H14 N6 O4 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N/N=C1\C(c2ccccc2)=NN(C1=O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2745 |
| logD: | 3.2688 |
| logSw: | -3.785 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.824 |
| InChI Key: | ZHTBJFSFQIUJEZ-UHFFFAOYSA-N |