3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-0996 |
| Compound Name: | 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 423.48 |
| Molecular Formula: | C23 H19 F2 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)OC)nnc1SCc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1388 |
| logD: | 6.1388 |
| logSw: | -5.6213 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.955 |
| InChI Key: | DSUNKOKKIZQMLZ-UHFFFAOYSA-N |