2-(4-ethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
2-(4-ethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0741 |
| Compound Name: | 2-(4-ethylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C28 H25 N3 O3 |
| Smiles: | CCc1ccc(cc1)N1C=C(c2ccccc2C1=O)c1nc(c2ccc(cc2)OC(C)C)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.0851 |
| logD: | 6.0851 |
| logSw: | -5.4795 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.963 |
| InChI Key: | QMEJMXPWVMHHSJ-UHFFFAOYSA-N |