3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | T500-0938 |
| Compound Name: | 3-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C25 H28 N2 O2 |
| Smiles: | Cc1ccc(CC2CCOC3(CCN(CC3)C(c3cccc(C#N)c3)=O)C2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.189 |
| logD: | 4.189 |
| logSw: | -4.3018 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.273 |
| InChI Key: | MTLQBJLOSTVFHK-NRFANRHFSA-N |