3-[(4-chlorophenyl)methyl]-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-[(4-chlorophenyl)methyl]-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7215 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 397.85 |
| Molecular Formula: | C18 H15 Cl F3 N3 S |
| Smiles: | Cn1c(Cc2ccc(cc2)[Cl])nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8013 |
| logD: | 4.8013 |
| logSw: | -4.9564 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.027 |
| InChI Key: | SMGKDUKEDITUSF-UHFFFAOYSA-N |