2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0763 |
| Compound Name: | 2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C26 H21 N3 O2 S |
| Smiles: | CCc1ccc(cc1)N1C=C(c2ccccc2C1=O)c1nc(c2ccc(cc2)SC)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.1379 |
| logD: | 6.1379 |
| logSw: | -5.527 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.16 |
| InChI Key: | SAYQUQXGWNJPGA-UHFFFAOYSA-N |