4-[2-(2-methylpropanoyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(2-methylpropanoyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(2-methylpropanoyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S952-0490 |
| Compound Name: | 4-[2-(2-methylpropanoyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 476.54 |
| Molecular Formula: | C25 H31 F3 N4 O2 |
| Smiles: | CC(C)C(N1CC(C(N2CCCC2)=O)C2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0468 |
| logD: | 3.0468 |
| logSw: | -3.2635 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.643 |
| InChI Key: | KKKYHQNACYPNHT-OAQYLSRUSA-N |