3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-7168 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 485.53 |
| Molecular Formula: | C25 H22 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(c(c2)OC)OC)nnc1SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9663 |
| logD: | 5.9663 |
| logSw: | -5.6834 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.672 |
| InChI Key: | DMLDVAASPKFEDH-UHFFFAOYSA-N |