3-{4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carbonyl}benzonitrile
3-{4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S747-1229 |
| Compound Name: | 3-{4-oxo-8-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carbonyl}benzonitrile |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C23 H23 N7 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1cccc(C#N)c1)=O)=O)c1nc(c2cnccn2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3967 |
| logD: | 0.3965 |
| logSw: | -1.3659 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.269 |
| InChI Key: | SOVWOQSCELFYNV-KRWDZBQOSA-N |