4-{4-(hydroxymethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5198 |
| Compound Name: | 4-{4-(hydroxymethyl)-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 492.5 |
| Molecular Formula: | C24 H27 F3 N4 O4 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(c1c(COC)c(C)on1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0519 |
| logD: | 2.0519 |
| logSw: | -2.8142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.128 |
| InChI Key: | RBUVRUASNWCZKW-KRWDZBQOSA-N |