2-(4-chlorophenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
2-(4-chlorophenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0855 |
| Compound Name: | 2-(4-chlorophenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one |
| Molecular Weight: | 445.93 |
| Molecular Formula: | C24 H16 Cl N3 O2 S |
| Smiles: | CSc1ccc(cc1)c1nc(C2=CN(C(c3ccccc23)=O)c2ccc(cc2)[Cl])on1 |
| Stereo: | ACHIRAL |
| logP: | 5.8019 |
| logD: | 5.8019 |
| logSw: | -6.0034 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.16 |
| InChI Key: | VVCXQOZKNONFKP-UHFFFAOYSA-N |