4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0759 |
| Compound Name: | 4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C27 H23 N3 O2 |
| Smiles: | CCc1ccc(cc1)N1C=C(c2ccccc2C1=O)c1nc(c2ccc(C)c(C)c2)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.4027 |
| logD: | 6.4027 |
| logSw: | -5.6104 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.16 |
| InChI Key: | ITBNCWLHZDTMIR-UHFFFAOYSA-N |