4-(4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)benzonitrile
4-(4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S687-1931 |
| Compound Name: | 4-(4-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)benzonitrile |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H25 N5 O3 |
| Smiles: | C1COC2(CCN(CC2)C(c2ccc(C#N)cc2)=O)CC1Cc1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7488 |
| logD: | 2.1101 |
| logSw: | -2.7177 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.134 |
| InChI Key: | IXSNLBTVWKOGDO-IBGZPJMESA-N |