1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one
1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S338-1053 |
| Compound Name: | 1-{(2S)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | Cc1ccc(CC(N2CCC[C@H]2c2nc(c3ccc(c(c3)OC)OC)no2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.1538 |
| logD: | 4.1538 |
| logSw: | -4.2617 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.086 |
| InChI Key: | DKKJHLGLMQAUTA-SFHVURJKSA-N |