4-methyl-5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-methyl-5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
4-methyl-5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-2545 |
| Compound Name: | 4-methyl-5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | CC(C)(c1ccccc1)c1ccc(cc1)OCc1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | 3.4449 |
| logD: | 3.0204 |
| logSw: | -3.4318 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32 |
| InChI Key: | XEIGFIMQPPZVPE-UHFFFAOYSA-N |