5-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-0143 |
| Compound Name: | 5-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 385.79 |
| Molecular Formula: | C16 H11 Cl F3 N3 O S |
| Smiles: | COc1ccc(cc1C1=NNC(N1c1cccc(c1)C(F)(F)F)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8384 |
| logD: | 4.202 |
| logSw: | -4.9744 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.604 |
| InChI Key: | KPWOGMDFXLJTAH-UHFFFAOYSA-N |