4-{rel-(3aR,7aR)-5-(methoxyacetyl)-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-(methoxyacetyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(methoxyacetyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0398 |
| Compound Name: | 4-{rel-(3aR,7aR)-5-(methoxyacetyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C22 H28 F3 N3 O4 |
| Smiles: | COCCOC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2209 |
| logD: | 1.2209 |
| logSw: | -2.351 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.153 |
| InChI Key: | XWEGBMVSHCUFCZ-DYESRHJHSA-N |