2-(3,4-dimethylphenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
2-(3,4-dimethylphenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0712 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C28 H25 N3 O4 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(C2=CN(C(c3ccccc23)=O)c2ccc(C)c(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.6036 |
| logD: | 5.6036 |
| logSw: | -5.4233 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.001 |
| InChI Key: | VGSZEVTWABGTEC-UHFFFAOYSA-N |