1-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
1-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S338-0029 |
| Compound Name: | 1-{(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 427.89 |
| Molecular Formula: | C22 H22 Cl N3 O4 |
| Smiles: | COc1ccc(CC(N2CCC[C@H]2c2nc(c3ccccc3[Cl])no2)=O)cc1OC |
| Stereo: | ABSOLUTE |
| logP: | 3.8926 |
| logD: | 3.8926 |
| logSw: | -4.2847 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.086 |
| InChI Key: | JTEVGFUQTPJBBZ-KRWDZBQOSA-N |