4-[rel-(3aR,7aR)-5-butanoyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-butanoyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-butanoyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0256 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-butanoyl-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C21 H26 F3 N3 O2 |
| Smiles: | CCCC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 3.2499 |
| logD: | 3.2499 |
| logSw: | -3.2738 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.458 |
| InChI Key: | JAWYXFKWCITKOJ-OXQOHEQNSA-N |