4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0242 |
| Compound Name: | 4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(1-methyl-1H-pyrrole-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C23 H25 F3 N4 O2 |
| Smiles: | Cn1cccc1C(N1C[C@H]2CN(CC[C@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4441 |
| logD: | 3.4441 |
| logSw: | -3.6867 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.131 |
| InChI Key: | OGQBJFXLEHOUJF-HTAPYJJXSA-N |