2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-cyanophenyl)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-(3-cyanophenyl)acetamide
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | S333-0512 |
| Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-cyanophenyl)acetamide |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C22 H15 N5 O4 |
| Smiles: | C(C(Nc1cccc(C#N)c1)=O)n1cccc1c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4663 |
| logD: | 4.466 |
| logSw: | -4.5325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.555 |
| InChI Key: | KXVIEMRKWVGONH-UHFFFAOYSA-N |