rel-(9aR,11R,12aS)-N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,11R,12aS)-N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S763-0522 |
| Compound Name: | rel-(9aR,11R,12aS)-N-(2-methylpropyl)-9-oxo-11-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]dodecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C24 H34 N6 O3 |
| Smiles: | CC(C)CNC(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(c2cccnc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0709 |
| logD: | 2.4322 |
| logSw: | -2.9875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.212 |
| InChI Key: | RKCIREORVFAADH-ZCNNSNEGSA-N |