3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9163 |
| Compound Name: | 3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C22 H16 Cl F2 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccccc2[Cl])nnc1SCc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6236 |
| logD: | 5.6235 |
| logSw: | -5.8445 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.042 |
| InChI Key: | JTCXCMNIOHRKTL-UHFFFAOYSA-N |