4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F990-0486 |
| Compound Name: | 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(methylsulfanyl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C26 H22 N4 O4 S |
| Smiles: | CCOc1ccc(cc1OC)c1nc(C2c3ccccc3C(N(c3cccc(c3)SC)N=2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.0744 |
| logD: | 5.0716 |
| logSw: | -4.7398 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.294 |
| InChI Key: | LHGYHSMOQWEDBO-UHFFFAOYSA-N |