3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-1-benzopyran-2-one
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | E594-0479 |
| Compound Name: | 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.32 |
| Molecular Formula: | C19 H13 F N2 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(C2=Cc3cc(ccc3OC2=O)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.5042 |
| logD: | 3.5042 |
| logSw: | -3.8164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.827 |
| InChI Key: | VEKUNKXRDMOYDA-UHFFFAOYSA-N |