N-(4-{2-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{2-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide
N-(4-{2-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide
Compound characteristics
| Compound ID: | CM2408-3887 |
| Compound Name: | N-(4-{2-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-oxoethyl}phenyl)acetamide |
| Molecular Weight: | 411.49 |
| Molecular Formula: | C19 H26 F N3 O4 S |
| Smiles: | CC(Nc1ccc(CC(N2C[C@@H]3CCN(C[C@@]3(C2)CF)S(C)(=O)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4981 |
| logD: | 0.4981 |
| logSw: | -2.2513 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.991 |
| InChI Key: | MNBQTZPASZOGQL-APWZRJJASA-N |