4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | D048-0218 |
| Compound Name: | 4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 298.37 |
| Molecular Formula: | C14 H14 N6 S |
| Smiles: | Cc1c(/C=N/n2cnnc2S)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3929 |
| logD: | 1.3441 |
| logSw: | -0.9807 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.806 |
| InChI Key: | UQRMYJJWOWGPQX-UHFFFAOYSA-N |