4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5236-0076 |
| Compound Name: | 4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C17 H16 F N3 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NNC(N1c1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2 |
| logD: | 2.4976 |
| logSw: | -3.4566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.951 |
| InChI Key: | FEFIMUPYYLDVRY-UHFFFAOYSA-N |