4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0477 |
| Compound Name: | 4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C25 H20 N4 O4 S |
| Smiles: | COc1ccc(c(c1)OC)c1nc(C2c3ccccc3C(N(c3cccc(c3)SC)N=2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.8396 |
| logD: | 4.8368 |
| logSw: | -4.7624 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.628 |
| InChI Key: | HHLJLEVXGXZBLM-UHFFFAOYSA-N |