3-benzyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-benzyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V004-3017 |
| Compound Name: | 3-benzyl-5-{[(3-methylphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 439.5 |
| Molecular Formula: | C24 H20 F3 N3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)C(F)(F)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4949 |
| logD: | 6.4949 |
| logSw: | -6.0784 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | FKJKOEVSSJCSLF-UHFFFAOYSA-N |