4-{rel-(3aR,7aR)-3a-(methoxymethyl)-5-[(3-methylphenoxy)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-3a-(methoxymethyl)-5-[(3-methylphenoxy)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-3a-(methoxymethyl)-5-[(3-methylphenoxy)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0251 |
| Compound Name: | 4-{rel-(3aR,7aR)-3a-(methoxymethyl)-5-[(3-methylphenoxy)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C26 H28 F3 N3 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8108 |
| logD: | 3.8108 |
| logSw: | -3.9346 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.686 |
| InChI Key: | YTEHWEZYYTZKDG-CJFMBICVSA-N |