4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1(2H)-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0798 |
| Compound Name: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 443.43 |
| Molecular Formula: | C25 H18 F N3 O4 |
| Smiles: | COc1cc(cc(c1)OC)c1nc(C2=CN(C(c3ccccc23)=O)c2ccc(cc2)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.484 |
| logD: | 4.484 |
| logSw: | -4.5586 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.248 |
| InChI Key: | IWBRAHALNAXMDZ-UHFFFAOYSA-N |