2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0457 |
| Compound Name: | 2-(4-ethylphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C25 H20 N4 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(c2ccccc2C(c2nc(c3ccc(cc3)SC)no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3233 |
| logD: | 6.3162 |
| logSw: | -5.5499 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.453 |
| InChI Key: | UOBPQDGTGAFHGN-UHFFFAOYSA-N |