4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0219 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 448.44 |
| Molecular Formula: | C22 H23 F3 N4 O3 |
| Smiles: | Cc1c(C(N2CC[C@@H]3CN(C[C@@]3(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)ocn1 |
| Stereo: | RELATIVE |
| logP: | 2.2712 |
| logD: | 2.2712 |
| logSw: | -2.8731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.628 |
| InChI Key: | NPBFKCUEVRQRBI-IIBYNOLFSA-N |