3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-2034 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 439.5 |
| Molecular Formula: | C24 H20 F3 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccccc3)n2c2cccc(c2)C(F)(F)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.338 |
| logD: | 7.3379 |
| logSw: | -5.9649 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | JHQXTFVVAHPKHU-UHFFFAOYSA-N |