4-[2-(methanesulfonyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(methanesulfonyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(methanesulfonyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S952-0488 |
| Compound Name: | 4-[2-(methanesulfonyl)-4-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C22 H27 F3 N4 O3 S |
| Smiles: | CS(N1CC(C(N2CCCC2)=O)C2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9896 |
| logD: | 1.9896 |
| logSw: | -2.9011 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.198 |
| InChI Key: | JJPXMHDUUBMBIW-IBGZPJMESA-N |