4-[2-(2-methoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2-methoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2-methoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1652-1835 |
| Compound Name: | 4-[2-(2-methoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C17 H14 N6 O4 S |
| Smiles: | COc1ccccc1N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 2.754 |
| logD: | 2.7537 |
| logSw: | -3.527 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.212 |
| InChI Key: | IBMDQCRDJCSQNY-UHFFFAOYSA-N |