4-{4-(hydroxymethyl)-8-[(1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-8-[(1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-8-[(1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5091 |
| Compound Name: | 4-{4-(hydroxymethyl)-8-[(1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C22 H24 F3 N5 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(Cn1ccnc1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0914 |
| logD: | 0.9276 |
| logSw: | -2.0298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.767 |
| InChI Key: | LPLLRCUNTZCVOR-KRWDZBQOSA-N |