2-(4-ethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
2-(4-ethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0209 |
| Compound Name: | 2-(4-ethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2ccccc2C(c2nc(c3ccc(cc3)SC)no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7616 |
| logD: | 5.7603 |
| logSw: | -5.5258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.577 |
| InChI Key: | WXHFVORLTPBQDD-UHFFFAOYSA-N |