4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0169 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-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: | Cc1cc(C(N2CC[C@@H]3CN(C[C@@]3(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0182 |
| logD: | 3.0182 |
| logSw: | -3.0931 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.942 |
| InChI Key: | RABCINKHOXQZBG-IIBYNOLFSA-N |