5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0029 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(c(c2)OC)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.3622 |
| logD: | 1.8197 |
| logSw: | -3.3558 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.718 |
| InChI Key: | ZPDHCCBLCVTLJR-UHFFFAOYSA-N |