4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-7832 |
| Compound Name: | 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 348.81 |
| Molecular Formula: | C15 H13 Cl N4 O2 S |
| Smiles: | COc1cc(c(cc1n1c(c2cccnc2)nnc1S)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5599 |
| logD: | 1.0811 |
| logSw: | -3.267 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.936 |
| InChI Key: | SCPWVVFIRMBIPQ-UHFFFAOYSA-N |