4-[rel-(3aR,7aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0228 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(3-fluoro-4-methylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C25 H25 F4 N3 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 4.0355 |
| logD: | 4.0355 |
| logSw: | -4.2143 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.714 |
| InChI Key: | LBVLEDTVGLVRMD-NTKDMRAZSA-N |