2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]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-(3,4-diethoxyphenyl)ethyl]acetamide
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | S333-0496 |
| Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 504.54 |
| Molecular Formula: | C27 H28 N4 O6 |
| Smiles: | CCOc1ccc(CCNC(Cn2cccc2c2nc(c3ccc4c(c3)OCO4)no2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9661 |
| logD: | 3.9661 |
| logSw: | -4.0248 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.083 |
| InChI Key: | QKBATQMSHKKASJ-UHFFFAOYSA-N |