4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0239 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 445.44 |
| Molecular Formula: | C22 H22 F3 N5 O2 |
| Smiles: | COC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ncccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.4258 |
| logD: | 1.4258 |
| logSw: | -2.2337 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.149 |
| InChI Key: | SRQYQHTYIAUJCZ-IIBYNOLFSA-N |