3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S511-1014 |
| Compound Name: | 3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | C1CCN(C1)C(CC1CCOC2(CCN(CC2)C(c2cccc(C#N)c2)=O)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.947 |
| logD: | 1.947 |
| logSw: | -2.2813 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.032 |
| InChI Key: | KVSNEYVIEBCABJ-SFHVURJKSA-N |