3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-6069 |
| Compound Name: | 3-benzyl-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C23 H19 Cl F N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(Cc2ccccc2)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.5484 |
| logD: | 5.5484 |
| logSw: | -5.9204 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.018 |
| InChI Key: | CKNZKQNPNLYYJS-UHFFFAOYSA-N |