4-[2-(2-methyl-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2-methyl-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2-methyl-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1951-2395 |
| Compound Name: | 4-[2-(2-methyl-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 382.4 |
| Molecular Formula: | C17 H14 N6 O3 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)N/N=C1\C(c2ccccc2)=NN(C1=O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0382 |
| logD: | 3.038 |
| logSw: | -3.497 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.281 |
| InChI Key: | NXZSJWDQLRWLTO-UHFFFAOYSA-N |