3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K607-0213 |
| Compound Name: | 3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 358.27 |
| Molecular Formula: | C18 H9 F3 N2 O3 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nc(c2ccc(cc2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6961 |
| logD: | 4.6961 |
| logSw: | -5.0893 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.566 |
| InChI Key: | SYUQMGULFGHVPY-UHFFFAOYSA-N |