rel-(9aR,11R,12aS)-11-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-0970 |
| Compound Name: | rel-(9aR,11R,12aS)-11-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 392.89 |
| Molecular Formula: | C18 H24 N6 O2 |
| Salt: | HCl |
| Smiles: | C1CCCN[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)c1nc(c2cnccn2)no1 |
| Stereo: | RELATIVE |
| logP: | 0.8764 |
| logD: | -1.1955 |
| logSw: | -1.8466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.268 |
| InChI Key: | LRAHIVWHIXDMJJ-MJBXVCDLSA-N |