5-[(4-methoxyphenyl)methyl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-methoxyphenyl)methyl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
5-[(4-methoxyphenyl)methyl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9320 |
| Compound Name: | 5-[(4-methoxyphenyl)methyl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | COc1ccc(Cc2nnc(n2c2cccnc2)S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8282 |
| logD: | 0.8434 |
| logSw: | -1.0488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.495 |
| InChI Key: | BCDIWMCRSRVDTP-UHFFFAOYSA-N |