5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8007-8450 |
| Compound Name: | 5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.4075 |
| logD: | 3.1482 |
| logSw: | -4.3587 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | XXZKSFOFVGQVCX-UHFFFAOYSA-N |