4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S726-1808 |
| Compound Name: | 4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C26 H30 N2 O3 |
| Smiles: | C(COCc1ccccc1)C1CCOC2(CCN(CC2)C(c2ccc(C#N)cc2)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6282 |
| logD: | 3.6282 |
| logSw: | -3.9188 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.626 |
| InChI Key: | JYWLLJQKNWZJDE-OAQYLSRUSA-N |