4-[4-(hydroxymethyl)-2-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(hydroxymethyl)-2-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(hydroxymethyl)-2-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0026 |
| Compound Name: | 4-[4-(hydroxymethyl)-2-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 423.48 |
| Molecular Formula: | C22 H28 F3 N3 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9912 |
| logD: | 2.9912 |
| logSw: | -3.1287 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.216 |
| InChI Key: | WKFUTFVMUJATMM-QGZVFWFLSA-N |