3-benzyl-5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
3-benzyl-5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-1396 |
| Compound Name: | 3-benzyl-5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 423.48 |
| Molecular Formula: | C23 H19 F2 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(Cc2ccccc2)nnc1SCc1c(cccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 5.0151 |
| logD: | 5.0151 |
| logSw: | -4.7867 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.018 |
| InChI Key: | LMXQOGBTRHZUKB-UHFFFAOYSA-N |