4-[4-(hydroxymethyl)-2-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(hydroxymethyl)-2-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(hydroxymethyl)-2-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0116 |
| Compound Name: | 4-[4-(hydroxymethyl)-2-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 463.46 |
| Molecular Formula: | C22 H24 F3 N5 O3 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(C1CCC(NN=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0628 |
| logD: | 0.7835 |
| logSw: | -2.4711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.881 |
| InChI Key: | KXBJCOXEQADTAL-OAHLLOKOSA-N |