4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0130 |
| Compound Name: | 4-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 392.27 |
| Molecular Formula: | C16 H14 Br N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc(cc1)[Br])S |
| Stereo: | ACHIRAL |
| logP: | 3.7728 |
| logD: | 2.2302 |
| logSw: | -4.1361 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.718 |
| InChI Key: | DYHZMZSKDGVINI-UHFFFAOYSA-N |