4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile
4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | S511-1243 |
| Compound Name: | 4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | C1CCN(C1)C(CC1CCOC2(CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6014 |
| logD: | 2.6014 |
| logSw: | -2.8931 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.094 |
| InChI Key: | LXADXOMKCZWAJB-IBGZPJMESA-N |