4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile
4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S247-0096 |
| Compound Name: | 4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | COCC1CN(CC12CCOCC2)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4038 |
| logD: | 1.4038 |
| logSw: | -1.9024 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.429 |
| InChI Key: | KBLRWDOPPJYRHF-INIZCTEOSA-N |