4-{2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0154 |
| Compound Name: | 4-{2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C25 H29 F3 N4 O3 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(CCc1c(C)noc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5267 |
| logD: | 2.5267 |
| logSw: | -2.8481 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.983 |
| InChI Key: | KNTKKMBPSUOGGZ-LJQANCHMSA-N |