4-[4-(methoxymethyl)-8-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(methoxymethyl)-8-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(methoxymethyl)-8-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S957-5236 |
| Compound Name: | 4-[4-(methoxymethyl)-8-(3-methylbutanoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C23 H30 F3 N3 O2 |
| Smiles: | CC(C)CC(N1CCC2(CC1)CN(CC2COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4881 |
| logD: | 3.488 |
| logSw: | -3.7205 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.525 |
| InChI Key: | XYEQGFFLLSTZDS-SFHVURJKSA-N |