5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-6060 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C15 H14 N4 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1cccnc1)S |
| Stereo: | ACHIRAL |
| logP: | 1.8355 |
| logD: | 0.5781 |
| logSw: | -1.333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.236 |
| InChI Key: | NNIOBOZZIRMOPX-UHFFFAOYSA-N |