4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1652-1846 |
| Compound Name: | 4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 416.84 |
| Molecular Formula: | C17 H13 Cl N6 O3 S |
| Smiles: | Cc1c(cccc1[Cl])N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9388 |
| logD: | 3.9387 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.582 |
| InChI Key: | UXLLMSLLWHVWCA-UHFFFAOYSA-N |