4-{2-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
4-{2-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S953-0607 |
| Compound Name: | 4-{2-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C27 H32 F3 N5 O |
| Smiles: | Cn1cccc1CN1CC2(CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)CC1C(N1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6006 |
| logD: | 3.4014 |
| logSw: | -3.8664 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.279 |
| InChI Key: | WVMJAGZGEBAVEZ-XMMPIXPASA-N |