4-benzyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-0647 |
| Compound Name: | 4-benzyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.1448 |
| logD: | 2.5143 |
| logSw: | -3.1756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.975 |
| InChI Key: | IIDFAXMMSCHQJR-UHFFFAOYSA-N |