4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0441 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C24 H28 F3 N5 O3 |
| Smiles: | Cn1cncc1C(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3896 |
| logD: | 1.3533 |
| logSw: | -1.9464 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.232 |
| InChI Key: | VIHGOSWJNGPZLT-WZONZLPQSA-N |