4-{4-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{4-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0047 |
| Compound Name: | 4-{4-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C25 H28 F3 N3 O2 |
| Smiles: | [H]OCC1CN(Cc2cccc(c2)OC)CC12CCN(CC2)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6073 |
| logD: | -1.1436 |
| logSw: | -3.8782 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.1 |
| InChI Key: | NKAOQSSMRGZROO-HXUWFJFHSA-N |