3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V012-0343 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C21 H20 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1CC=C)SCc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5286 |
| logD: | 5.5286 |
| logSw: | -5.5858 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.307 |
| InChI Key: | CGFFMNMQTKKAPR-UHFFFAOYSA-N |