4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5249 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C25 H29 F3 N4 O3 |
| Smiles: | Cc1c(CCC(N2CC[C@]3(CN(C[C@H]3C2)c2ccc(C#N)c(c2)C(F)(F)F)COC)=O)c(C)on1 |
| Stereo: | RELATIVE |
| logP: | 2.914 |
| logD: | 2.914 |
| logSw: | -3.1654 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.225 |
| InChI Key: | NYQUUKAMVCAQLZ-NTKDMRAZSA-N |