4-{8-[3-(dimethylamino)benzoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{8-[3-(dimethylamino)benzoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
4-{8-[3-(dimethylamino)benzoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5079 |
| Compound Name: | 4-{8-[3-(dimethylamino)benzoyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C26 H29 F3 N4 O2 |
| Smiles: | [H]OCC1CN(CC12CCN(CC2)C(c1cccc(c1)N(C)C)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2174 |
| logD: | 3.2174 |
| logSw: | -3.3636 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.277 |
| InChI Key: | LOYGSSNOEHOWGN-FQEVSTJZSA-N |