4-(1-benzyl-1H-pyrazol-4-yl)-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8945 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C17 H17 N7 S |
| Smiles: | CCn1cc(cn1)c1nnc(n1c1cnn(Cc2ccccc2)c1)S |
| Stereo: | ACHIRAL |
| logP: | 1.6008 |
| logD: | 1.0055 |
| logSw: | -1.2438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.465 |
| InChI Key: | OKPMDTKMJYFWEZ-UHFFFAOYSA-N |