2-({4-oxo-8-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({4-oxo-8-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile
2-({4-oxo-8-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | S747-0759 |
| Compound Name: | 2-({4-oxo-8-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccccc1C#N)=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0008 |
| logD: | 1.3621 |
| logSw: | -2.3614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.305 |
| InChI Key: | ZMOHBYQZUSHXRE-SFHVURJKSA-N |