2-(3-methylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3-methylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
2-(3-methylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0603 |
| Compound Name: | 2-(3-methylphenyl)-4-(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)isoquinolin-1(2H)-one |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C27 H23 N3 O3 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(C2=CN(C(c3ccccc23)=O)c2cccc(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.668 |
| logD: | 5.668 |
| logSw: | -5.4492 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.963 |
| InChI Key: | NKHWTMFFIHZIKQ-UHFFFAOYSA-N |