4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0752 |
| Compound Name: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C27 H23 N3 O4 |
| Smiles: | CCc1ccc(cc1)N1C=C(c2ccccc2C1=O)c1nc(c2cc(cc(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.3856 |
| logD: | 5.3856 |
| logSw: | -5.4054 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.248 |
| InChI Key: | DFVRWZVZECNTEE-UHFFFAOYSA-N |