4-benzyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9011 |
| Compound Name: | 4-benzyl-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C18 H19 N3 O S |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.977 |
| logD: | 3.5525 |
| logSw: | -4.0988 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.1897 |
| InChI Key: | AVCHODUZKSHCCE-UHFFFAOYSA-N |