4-(1-benzyl-1H-pyrazol-4-yl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8956 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C20 H19 N5 O S |
| Smiles: | Cc1ccccc1OCc1nnc(n1c1cnn(Cc2ccccc2)c1)S |
| Stereo: | ACHIRAL |
| logP: | 3.0343 |
| logD: | 2.3573 |
| logSw: | -2.9595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.525 |
| InChI Key: | WHJOZEMETXZQAZ-UHFFFAOYSA-N |