4-{4-(hydroxymethyl)-2-[3-(1H-imidazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-2-[3-(1H-imidazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-2-[3-(1H-imidazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0200 |
| Compound Name: | 4-{4-(hydroxymethyl)-2-[3-(1H-imidazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C23 H26 F3 N5 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(CCn1ccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3023 |
| logD: | 1.2154 |
| logSw: | -2.0118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.745 |
| InChI Key: | PRTJKNNIQSXQDW-GOSISDBHSA-N |