3-{4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
3-{4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | T500-1172 |
| Compound Name: | 3-{4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}benzonitrile |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C25 H28 N2 O3 |
| Smiles: | COc1ccc(CC2CCOC3(CCN(CC3)C(c3cccc(C#N)c3)=O)C2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.748 |
| logD: | 3.748 |
| logSw: | -4.1407 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.817 |
| InChI Key: | CMNMQUGQQYSVOJ-FQEVSTJZSA-N |