2-[3-(methylsulfanyl)phenyl]-4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-[3-(methylsulfanyl)phenyl]-4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
2-[3-(methylsulfanyl)phenyl]-4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0490 |
| Compound Name: | 2-[3-(methylsulfanyl)phenyl]-4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one |
| Molecular Weight: | 480.47 |
| Molecular Formula: | C24 H15 F3 N4 O2 S |
| Smiles: | CSc1cccc(c1)N1C(c2ccccc2C(c2nc(c3ccc(cc3)C(F)(F)F)no2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9791 |
| logD: | 5.9763 |
| logSw: | -5.5957 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.453 |
| InChI Key: | RZTZGJLMCBATBT-UHFFFAOYSA-N |