4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butan-1-one
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S428-1292 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butan-1-one |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C25 H31 N5 O6 |
| Smiles: | COc1ccc(cc1OC)c1nc(CCCC(N2CCC(C2)c2nc(C3CCOCC3)no2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4427 |
| logD: | 3.4427 |
| logSw: | -3.5237 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 102.769 |
| InChI Key: | GOKSKHDKCRTWTM-GOSISDBHSA-N |