3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-7038 |
| Compound Name: | 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C16 H13 F2 N3 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1ccccc1)SCc1cc(ccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 3.6124 |
| logD: | 3.6124 |
| logSw: | -3.7113 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7611 |
| InChI Key: | LAOHREMSBMZGOR-UHFFFAOYSA-N |