2-(3,4-dimethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
2-(3,4-dimethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | F982-0205 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C=C(c2ccccc2C1=O)c1nc(c2ccc(cc2)SC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.88 |
| logD: | 4.88 |
| logSw: | -4.7643 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.421 |
| InChI Key: | TUPKUGNPKPLFJY-UHFFFAOYSA-N |