3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V013-6543 |
| Compound Name: | 3-{[(3,5-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C24 H21 F2 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2cc(cc(c2)OC)OC)nnc1SCc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1235 |
| logD: | 6.1234 |
| logSw: | -5.589 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.499 |
| InChI Key: | DMSBGTWBTLRIMK-UHFFFAOYSA-N |