4-[4-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecane-1-carbonyl]benzonitrile
4-[4-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S747-0327 |
| Compound Name: | 4-[4-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecane-1-carbonyl]benzonitrile |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H25 N5 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1ccc(C#N)cc1)=O)=O)c1nc(c2ccccc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5488 |
| logD: | 2.5488 |
| logSw: | -2.812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.703 |
| InChI Key: | KTKPJFRGNPLVRQ-FQEVSTJZSA-N |