2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM2408-3246 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 373.44 |
| Molecular Formula: | C16 H24 F N3 O4 S |
| Smiles: | Cc1c(CC(N2C[C@@H]3CCN(C[C@@]3(C2)CF)S(C)(=O)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4058 |
| logD: | 0.4058 |
| logSw: | -1.4349 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.767 |
| InChI Key: | HDFTURITZKAQSI-CJNGLKHVSA-N |