3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V007-7517 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C22 H18 F3 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccco3)n2c2cccc(c2)C(F)(F)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3925 |
| logD: | 6.3922 |
| logSw: | -5.8297 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | LTNFQEZFHVVQHH-UHFFFAOYSA-N |