3-(2-phenylethyl)-4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-phenylethyl)-4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(2-phenylethyl)-4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8635 |
| Compound Name: | 3-(2-phenylethyl)-4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C21 H20 F3 N3 S |
| Smiles: | C=CCn1c(CCc2ccccc2)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5469 |
| logD: | 5.5469 |
| logSw: | -6.2233 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1953 |
| InChI Key: | XHLXMELNRNYDSJ-UHFFFAOYSA-N |