5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0085 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | Cc1ccccc1n1c(c2ccc(c(c2)OC)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.2979 |
| logD: | 0.7969 |
| logSw: | -3.4521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.418 |
| InChI Key: | GJKPGICTEDMOID-UHFFFAOYSA-N |