4-[rel-(3aR,7aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0273 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C22 H25 F3 N4 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4187 |
| logD: | 2.4187 |
| logSw: | -2.9323 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.815 |
| InChI Key: | VGZIGWXPGCVTCK-UWJYYQICSA-N |