2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2,5-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2,5-difluorophenyl)acetamide
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2,5-difluorophenyl)acetamide
Compound characteristics
Compound ID: | S333-0479 |
Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(2,5-difluorophenyl)acetamide |
Molecular Weight: | 424.36 |
Molecular Formula: | C21 H14 F2 N4 O4 |
Smiles: | C(C(Nc1cc(ccc1F)F)=O)n1cccc1c1nc(c2ccc3c(c2)OCO3)no1 |
Stereo: | ACHIRAL |
logP: | 4.7726 |
logD: | 4.7493 |
logSw: | -4.8741 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.801 |
InChI Key: | XNGLJYWOLTWSCV-UHFFFAOYSA-N |