4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(3-methoxypropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(3-methoxypropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(3-methoxypropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0547 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(ethoxymethyl)-5-(3-methoxypropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 439.48 |
| Molecular Formula: | C22 H28 F3 N3 O3 |
| Smiles: | CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(CCOC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3724 |
| logD: | 2.3724 |
| logSw: | -2.8419 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.436 |
| InChI Key: | SHEIRYNCNMTFLR-DYESRHJHSA-N |