2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[(2,3-dimethoxyphenyl)methyl]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-dimethoxyphenyl)methyl]acetamide
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S333-0492 |
| Compound Name: | 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C24 H22 N4 O6 |
| Smiles: | COc1cccc(CNC(Cn2cccc2c2nc(c3ccc4c(c3)OCO4)no2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.324 |
| logD: | 4.324 |
| logSw: | -4.4367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.168 |
| InChI Key: | RQOCDHLNNKBKEX-UHFFFAOYSA-N |