3-(4-ethoxyphenyl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(4-ethoxyphenyl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7219 |
| Compound Name: | 3-(4-ethoxyphenyl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 393.43 |
| Molecular Formula: | C19 H18 F3 N3 O S |
| Smiles: | CCOc1ccc(cc1)c1nnc(n1C)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.9427 |
| logD: | 4.9427 |
| logSw: | -4.6377 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.174 |
| InChI Key: | MOJKICDEJLRCQL-UHFFFAOYSA-N |