ethyl {5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate
Chemical Structure Depiction of
ethyl {5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate
ethyl {5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate
Compound characteristics
| Compound ID: | 8018-2487 |
| Compound Name: | ethyl {5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate |
| Molecular Weight: | 299.25 |
| Molecular Formula: | C13 H12 F3 N3 O2 |
| Smiles: | CCOC(Cc1nnc(c2cccc(c2)C(F)(F)F)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.624 |
| logD: | 2.5881 |
| logSw: | -2.9285 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.173 |
| InChI Key: | UCHRRCQPUPEOEU-UHFFFAOYSA-N |