4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1951-2345 |
| Compound Name: | 4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 336.33 |
| Molecular Formula: | C12 H12 N6 O4 S |
| Smiles: | CC1\C(C(N(C(N)=S)N=1)=O)=N/Nc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5754 |
| logD: | 1.44 |
| logSw: | -2.6135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.657 |
| InChI Key: | YAEOPAROXMLGIZ-UHFFFAOYSA-N |