1-{rel-(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}ethan-1-one
1-{rel-(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S640-4898 |
| Compound Name: | 1-{rel-(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C18 H23 N7 O3 |
| Smiles: | CC(N1C[C@@H](C(N2CCN(CC2)c2ncccn2)=O)[C@@H](C1)c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3212 |
| logD: | 0.3212 |
| logSw: | -1.3706 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.42 |
| InChI Key: | JOKWJTHTPHHIAW-GJZGRUSLSA-N |