4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5236-0078 |
| Compound Name: | 4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C20 H22 F N3 O3 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C1=NNC(N1c1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1589 |
| logD: | 3.4564 |
| logSw: | -4.1646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.691 |
| InChI Key: | ODRFUUMPIXKJOD-UHFFFAOYSA-N |