4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0517 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C23 H25 F3 N4 O3 |
| Smiles: | CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cc(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3791 |
| logD: | 3.3791 |
| logSw: | -3.5077 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.577 |
| InChI Key: | FBOZKEKHIVSQHX-VGOFRKELSA-N |