3-(4-nitrophenyl)-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
3-(4-nitrophenyl)-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
3-(4-nitrophenyl)-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1951-2379 |
| Compound Name: | 3-(4-nitrophenyl)-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 436.37 |
| Molecular Formula: | C17 H11 F3 N6 O3 S |
| Smiles: | c1ccc(c(c1)C(F)(F)F)N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6005 |
| logD: | 3.6005 |
| logSw: | -4.1007 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.582 |
| InChI Key: | MZKFTSNYELQBDQ-UHFFFAOYSA-N |