4-[rel-(3aR,7aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0167 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H26 F3 N3 O3 |
| Smiles: | Cc1cc(C(N2CC[C@@H]3CN(C[C@@]3(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)o1 |
| Stereo: | RELATIVE |
| logP: | 3.4528 |
| logD: | 3.4528 |
| logSw: | -3.5474 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.461 |
| InChI Key: | CONVXUNVOJIIFO-WZONZLPQSA-N |