3-(4,5-dimethylthiophen-3-yl)-4-propyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4,5-dimethylthiophen-3-yl)-4-propyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(4,5-dimethylthiophen-3-yl)-4-propyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5549 |
| Compound Name: | 3-(4,5-dimethylthiophen-3-yl)-4-propyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C19 H20 F3 N3 S2 |
| Smiles: | CCCn1c(c2csc(C)c2C)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.915 |
| logD: | 5.9131 |
| logSw: | -5.9878 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.2375 |
| InChI Key: | RGHKWVSFFSNRLQ-UHFFFAOYSA-N |