5-benzyl-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-benzyl-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-benzyl-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-8027 |
| Compound Name: | 5-benzyl-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | COc1ccc(c(c1)n1c(Cc2ccccc2)nnc1S)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0395 |
| logD: | 1.7802 |
| logSw: | -3.2521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.307 |
| InChI Key: | QZNGOLZTWXNCJL-UHFFFAOYSA-N |