4-[2-(3-bromophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(3-bromophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(3-bromophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
Compound ID: | 1951-2382 |
Compound Name: | 4-[2-(3-bromophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
Molecular Weight: | 447.27 |
Molecular Formula: | C16 H11 Br N6 O3 S |
Smiles: | c1cc(cc(c1)[Br])N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S |
Stereo: | ACHIRAL |
logP: | 3.5388 |
logD: | 3.5387 |
logSw: | -3.9913 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 96.279 |
InChI Key: | PFUTWGYLICIZGB-UHFFFAOYSA-N |