4-[rel-(3aR,7aR)-5-[(2-methoxyethoxy)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-[(2-methoxyethoxy)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-[(2-methoxyethoxy)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0166 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-[(2-methoxyethoxy)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C22 H28 F3 N3 O4 |
| Smiles: | COCCOCC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2492 |
| logD: | 1.2492 |
| logSw: | -2.3163 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.153 |
| InChI Key: | QIFRRTYYLSZEKD-DYESRHJHSA-N |