2-(3-methoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
2-(3-methoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0105 |
| Compound Name: | 2-(3-methoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C25 H19 N3 O3 S |
| Smiles: | COc1cccc(c1)N1C=C(c2ccccc2C1=O)c1nc(c2ccc(cc2)SC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.3862 |
| logD: | 5.3862 |
| logSw: | -5.4244 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.704 |
| InChI Key: | KBUXDPKSJDLAGM-UHFFFAOYSA-N |