4-{rel-(3aR,7aR)-5-(2,2-dimethylpropanoyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-(2,2-dimethylpropanoyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(2,2-dimethylpropanoyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0474 |
| Compound Name: | 4-{rel-(3aR,7aR)-5-(2,2-dimethylpropanoyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 467.53 |
| Molecular Formula: | C24 H32 F3 N3 O3 |
| Smiles: | CC(C)(C)C(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0223 |
| logD: | 3.0223 |
| logSw: | -3.1342 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.257 |
| InChI Key: | BWPUOOLUKVPIHX-WZONZLPQSA-N |