4-{4-(hydroxymethyl)-8-[(3-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-8-[(3-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-8-[(3-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5147 |
| Compound Name: | 4-{4-(hydroxymethyl)-8-[(3-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C26 H28 F3 N3 O3 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(COc1cccc(C)c1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2564 |
| logD: | 3.2563 |
| logSw: | -3.2187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.444 |
| InChI Key: | AEKPNEHITWAATG-FQEVSTJZSA-N |