4-(1-benzyl-1H-pyrazol-4-yl)-5-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
4-(1-benzyl-1H-pyrazol-4-yl)-5-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y502-8764 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1) |
| Molecular Weight: | 478.02 |
| Molecular Formula: | C24 H23 N7 S |
| Salt: | HCl |
| Smiles: | Cc1cc(C)n(Cc2cccc(c2)c2nnc(n2c2cnn(Cc3ccccc3)c2)S)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9426 |
| logD: | 2.018 |
| logSw: | -2.8721 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.699 |
| InChI Key: | ASDAOMKNSSHKFN-UHFFFAOYSA-N |