2-(3,4-dimethylphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
2-(3,4-dimethylphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0715 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C26 H18 F3 N3 O2 |
| Smiles: | Cc1ccc(cc1C)N1C=C(c2ccccc2C1=O)c1nc(c2cccc(c2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.4373 |
| logD: | 6.4373 |
| logSw: | -5.8849 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.16 |
| InChI Key: | ZJGKJIUCNFBNNT-UHFFFAOYSA-N |