(2H-1,3-benzodioxol-5-yl){(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | S338-0999 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | COc1ccc(cc1OC)c1nc([C@@H]2CCCN2C(c2ccc3c(c2)OCO3)=O)on1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4623 |
| logD: | 3.4623 |
| logSw: | -3.5185 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.729 |
| InChI Key: | OIAXUMFGZKIXJT-HNNXBMFYSA-N |