4-(2,4-dimethoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,4-dimethoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
4-(2,4-dimethoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-9874 |
| Compound Name: | 4-(2,4-dimethoxyphenyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)OCc1cccc(c1)c1nnc(n1c1ccc(cc1OC)OC)S |
| Stereo: | ACHIRAL |
| logP: | 6.134 |
| logD: | 4.5914 |
| logSw: | -5.7525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.559 |
| InChI Key: | XALZYOGWYBVQHH-UHFFFAOYSA-N |