4-(3-chloro-4-fluorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(3-chloro-4-fluorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-9700 |
| Compound Name: | 4-(3-chloro-4-fluorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 365.81 |
| Molecular Formula: | C16 H13 Cl F N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc(c(c1)[Cl])F)S |
| Stereo: | ACHIRAL |
| logP: | 3.5029 |
| logD: | 1.9604 |
| logSw: | -4.0319 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.718 |
| InChI Key: | TXDGUSUCEUSHBS-UHFFFAOYSA-N |