4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
Chemical Structure Depiction of
4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | S343-0450 |
| Compound Name: | 4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C21 H19 N3 O6 |
| Smiles: | COc1ccc(cc1OC)N1CC(CC1=O)c1nc(c2ccc3c(c2)OCO3)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9168 |
| logD: | 2.9167 |
| logSw: | -3.1327 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.77 |
| InChI Key: | NECSZJCRAUAMFA-CYBMUJFWSA-N |