1-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
1-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB56-0955 |
| Compound Name: | 1-[rel-(3R,4S)-3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-4-(pyridin-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C22 H19 N7 O2 |
| Smiles: | C(C(N1C[C@@H](c2nc(c3cnccn3)no2)[C@@H](C1)c1cccnc1)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1163 |
| logD: | 1.1078 |
| logSw: | -1.565 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.328 |
| InChI Key: | BJTWKECXQWMGOD-ZWKOTPCHSA-N |