4-butyl-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-butyl-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-butyl-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5933-0690 |
| Compound Name: | 4-butyl-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 251.32 |
| Molecular Formula: | C12 H14 F N3 S |
| Smiles: | CCCCN1C(c2ccc(cc2)F)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.7053 |
| logD: | 3.3036 |
| logSw: | -3.8533 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8347 |
| InChI Key: | YNILMJHJRRZXCW-UHFFFAOYSA-N |