4-(1-benzyl-1H-pyrazol-4-yl)-5-(1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-(1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-(1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8943 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-(1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C17 H17 N7 S |
| Smiles: | Cc1cc(c2nnc(n2c2cnn(Cc3ccccc3)c2)S)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.329 |
| logD: | 0.9343 |
| logSw: | -0.9362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.286 |
| InChI Key: | QJSWYIVSPJYPLO-UHFFFAOYSA-N |