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 |