4-{2-[(2,5-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-[(2,5-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{2-[(2,5-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S957-0040 |
Compound Name: | 4-{2-[(2,5-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 489.54 |
Molecular Formula: | C26 H30 F3 N3 O3 |
Smiles: | [H]OCC1CN(Cc2cc(ccc2OC)OC)CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6368 |
logD: | -1.1388 |
logSw: | -4.019 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.73 |
InChI Key: | USJMIANKWUXHRI-HXUWFJFHSA-N |