4-{4-(hydroxymethyl)-2-[(methylsulfanyl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-2-[(methylsulfanyl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-2-[(methylsulfanyl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0113 |
| Compound Name: | 4-{4-(hydroxymethyl)-2-[(methylsulfanyl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 427.49 |
| Molecular Formula: | C20 H24 F3 N3 O2 S |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(CSC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4291 |
| logD: | 2.4291 |
| logSw: | -2.8616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.216 |
| InChI Key: | SBEAOHHRGUMNQS-HNNXBMFYSA-N |