3-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-8645 |
| Compound Name: | 3-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 469.41 |
| Molecular Formula: | C21 H13 F6 N3 O S |
| Smiles: | C(c1cccc(c1)C(F)(F)F)Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9218 |
| logD: | 5.9217 |
| logSw: | -6.2566 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | NVEUQJIBLZMVAA-UHFFFAOYSA-N |