N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide
Compound characteristics
| Compound ID: | S333-0498 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamide |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C23 H18 N4 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(Cn1cccc1c1nc(c2ccc3c(c2)OCO3)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0962 |
| logD: | 4.0962 |
| logSw: | -4.3844 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.936 |
| InChI Key: | CYPUMQWGRHMLBT-UHFFFAOYSA-N |