4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile
4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | S726-2036 |
| Compound Name: | 4-{4-[2-(benzyloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-sulfonyl}benzonitrile |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | C(COCc1ccccc1)C1CCOC2(CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1653 |
| logD: | 4.1653 |
| logSw: | -4.4923 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.689 |
| InChI Key: | QKCUVDNREDQNEO-OAQYLSRUSA-N |