4-{2-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{2-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0086 |
| Compound Name: | 4-{2-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 491.94 |
| Molecular Formula: | C25 H25 Cl F3 N3 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0228 |
| logD: | 4.0228 |
| logSw: | -4.2447 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.944 |
| InChI Key: | VKLUIQMDGYNIMQ-IBGZPJMESA-N |