3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-methyl-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-7067 |
| Compound Name: | 3-{[(3,4-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)SCc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 3.3446 |
| logD: | 3.3446 |
| logSw: | -3.4854 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7611 |
| InChI Key: | ANQSQFRQGGHZDQ-UHFFFAOYSA-N |