4-[2-(2,4-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(2,4-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(2,4-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S957-0247 |
Compound Name: | 4-[2-(2,4-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 485.55 |
Molecular Formula: | C27 H30 F3 N3 O2 |
Smiles: | Cc1ccc(C(N2CC(COC)C3(CCN(CC3)c3ccc(C#N)c(c3)C(F)(F)F)C2)=O)c(C)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5664 |
logD: | 4.5664 |
logSw: | -4.3605 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 45.781 |
InChI Key: | OMRLDPLMXACVJV-OAQYLSRUSA-N |