4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0464 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C24 H16 N4 O4 S |
| Smiles: | CSc1cccc(c1)N1C(c2ccccc2C(c2nc(c3ccc4c(c3)OCO4)no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.027 |
| logD: | 5.0242 |
| logSw: | -4.6708 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.569 |
| InChI Key: | ZUAHRNUGOGNEAB-UHFFFAOYSA-N |