3-methyl-4-[2-(2-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
3-methyl-4-[2-(2-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
3-methyl-4-[2-(2-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1652-1542 |
| Compound Name: | 3-methyl-4-[2-(2-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 306.3 |
| Molecular Formula: | C11 H10 N6 O3 S |
| Smiles: | CC1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.766 |
| logD: | 1.6785 |
| logSw: | -2.3772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.725 |
| InChI Key: | QKFSDHDCGACKIY-UHFFFAOYSA-N |