tert-butyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
tert-butyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
tert-butyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | V004-7504 |
| Compound Name: | tert-butyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 425.43 |
| Molecular Formula: | C19 H18 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6987 |
| logD: | 4.6983 |
| logSw: | -4.5875 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.831 |
| InChI Key: | ZFLPGDRJVGFGHL-UHFFFAOYSA-N |