3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V030-8352 |
| Compound Name: | 3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 439.48 |
| Molecular Formula: | C23 H19 F2 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCc1c(cccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4509 |
| logD: | 5.4509 |
| logSw: | -5.5735 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.8 |
| InChI Key: | ATYPICYPMSNABT-UHFFFAOYSA-N |