3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V009-3632 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C24 H22 F N3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccccc2F)nnc1SCc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6072 |
| logD: | 6.6072 |
| logSw: | -6.0663 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | KLXLNELJGBBEOH-UHFFFAOYSA-N |