4-{8-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{8-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{8-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5086 |
| Compound Name: | 4-{8-[(2-chlorophenyl)acetyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 491.94 |
| Molecular Formula: | C25 H25 Cl F3 N3 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(Cc1ccccc1[Cl])=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9766 |
| logD: | 3.9766 |
| logSw: | -4.1683 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.944 |
| InChI Key: | CJKSFCQTHITTME-LJQANCHMSA-N |