4-[2-(2-cyanophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2-(2-cyanophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-[2-(2-cyanophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1652-1800 |
| Compound Name: | 4-[2-(2-cyanophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C17 H12 N6 O S |
| Smiles: | C(c1ccccc1N/N=C1\C(c2ccccc2)=NN(C1=O)C(N)=S)#N |
| Stereo: | ACHIRAL |
| logP: | 2.4713 |
| logD: | 2.4711 |
| logSw: | -3.1434 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.256 |
| InChI Key: | HTVACVYSXXKKQU-UHFFFAOYSA-N |