4-{8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5156 |
| Compound Name: | 4-{8-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 489.54 |
| Molecular Formula: | C25 H30 F3 N5 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(CCn1c(C)cc(C)n1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5791 |
| logD: | 1.5789 |
| logSw: | -2.3095 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.93 |
| InChI Key: | AIOALROCPROWOR-FQEVSTJZSA-N |