4-[2-(3,4-dimethylbenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(3,4-dimethylbenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(3,4-dimethylbenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0015 |
| Compound Name: | 4-[2-(3,4-dimethylbenzoyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C26 H28 F3 N3 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9006 |
| logD: | 3.9006 |
| logSw: | -3.9944 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.472 |
| InChI Key: | XASMRGLPMXIRTO-OAQYLSRUSA-N |