4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6026-0081 |
| Compound Name: | 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | Cc1ccccc1OCc1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.4153 |
| logD: | 2.9908 |
| logSw: | -3.4664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2764 |
| InChI Key: | PSORKIJFZOFJRX-UHFFFAOYSA-N |