4-[2-(3,3-dimethylbutanoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(3,3-dimethylbutanoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(3,3-dimethylbutanoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0074 |
| Compound Name: | 4-[2-(3,3-dimethylbutanoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C23 H30 F3 N3 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5068 |
| logD: | 3.5068 |
| logSw: | -3.5846 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.216 |
| InChI Key: | FCGGCUQRZBPJML-QGZVFWFLSA-N |