2-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
2-(3-chloro-4-methoxyphenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM2408-3858 |
| Compound Name: | 2-(3-chloro-4-methoxyphenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 418.91 |
| Molecular Formula: | C18 H24 Cl F N2 O4 S |
| Smiles: | COc1ccc(CC(N2C[C@@H]3CCN(C[C@@]3(C2)CF)S(C)(=O)=O)=O)cc1[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6959 |
| logD: | 1.6959 |
| logSw: | -2.8564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.359 |
| InChI Key: | GQNIOMPJAHIKJK-KDOFPFPSSA-N |