methyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | V008-4976 |
| Compound Name: | methyl ({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C16 H12 F3 N3 O3 S |
| Smiles: | COC(CSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1829 |
| logD: | 3.1826 |
| logSw: | -3.4045 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.141 |
| InChI Key: | GJKLLBIEGQEOFI-UHFFFAOYSA-N |