4-({4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile
4-({4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | S747-1353 |
| Compound Name: | 4-({4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-1-yl}methyl)benzonitrile |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C23 H25 N7 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccc(C#N)cc1)=O)c1nc(c2cnccn2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1766 |
| logD: | 0.893 |
| logSw: | -1.6531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.353 |
| InChI Key: | JAMGGEJFHPAXPK-IBGZPJMESA-N |