3-{4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
3-{4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | T500-0707 |
| Compound Name: | 3-{4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile |
| Molecular Weight: | 392.47 |
| Molecular Formula: | C24 H25 F N2 O2 |
| Smiles: | C1COC2(CCN(CC2)C(c2cccc(C#N)c2)=O)CC1Cc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9023 |
| logD: | 3.9023 |
| logSw: | -4.2248 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.273 |
| InChI Key: | DSPOFZRJBUHBQK-LJQANCHMSA-N |