1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S338-1056 |
| Compound Name: | 1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3-fluorophenyl)ethan-1-one |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C22 H22 F N3 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc([C@@H]2CCCN2C(Cc2cccc(c2)F)=O)on1 |
| Stereo: | ABSOLUTE |
| logP: | 3.8981 |
| logD: | 3.8981 |
| logSw: | -4.0893 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.086 |
| InChI Key: | ZXQLPVZTAOMGBH-KRWDZBQOSA-N |