4-[2-(3,5-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(3,5-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(3,5-dimethylbenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-0239 |
| Compound Name: | 4-[2-(3,5-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: | Cc1cc(C)cc(c1)C(N1CC(COC)C2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3262 |
| logD: | 4.3262 |
| logSw: | -4.3597 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.781 |
| InChI Key: | CMMBWFYJQWUEOY-JOCHJYFZSA-N |