2-(3,4-dimethylphenyl)-4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
2-(3,4-dimethylphenyl)-4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0713 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C27 H23 N3 O2 |
| Smiles: | Cc1ccc(cc1C)c1nc(C2=CN(C(c3ccccc23)=O)c2ccc(C)c(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 6.6197 |
| logD: | 6.6197 |
| logSw: | -5.6194 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.16 |
| InChI Key: | ROTMUHWIHVYUBV-UHFFFAOYSA-N |