3-{4-[2-(4-fluorophenoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[2-(4-fluorophenoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
3-{4-[2-(4-fluorophenoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S726-0944 |
| Compound Name: | 3-{4-[2-(4-fluorophenoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C25 H27 F N2 O3 |
| Smiles: | C(COc1ccc(cc1)F)C1CCOC2(CCN(CC2)C(c2cccc(C#N)c2)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8488 |
| logD: | 3.8488 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.691 |
| InChI Key: | NVSNIMINHPRKMI-IBGZPJMESA-N |