4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-4386 |
| Compound Name: | 4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 364.43 |
| Molecular Formula: | C18 H16 N6 O S |
| Smiles: | Cc1c(/C=N/n2c(c3ccco3)nnc2S)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4428 |
| logD: | 1.9516 |
| logSw: | -2.3759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.075 |
| InChI Key: | WUMROMNUWQCXLN-UHFFFAOYSA-N |