benzyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
benzyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | V012-0084 |
| Compound Name: | benzyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C22 H16 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)OC(CSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0435 |
| logD: | 5.0432 |
| logSw: | -5.1765 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.825 |
| InChI Key: | PEXYWFXBYDPBDC-UHFFFAOYSA-N |