4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1652-1856 |
| Compound Name: | 4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 482.26 |
| Molecular Formula: | C16 H9 Cl2 N7 O5 S |
| Smiles: | c1cc(ccc1C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1c(cc(cc1[Cl])[N+]([O-])=O)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3891 |
| logD: | 2.6546 |
| logSw: | -3.9682 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.265 |
| InChI Key: | UBFWBXSQYVOSES-UHFFFAOYSA-N |