rel-(3aR,7aS)-7a-[(dimethylamino)methyl]-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-7a-[(dimethylamino)methyl]-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-7a-[(dimethylamino)methyl]-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | CM2431B-6853 |
| Compound Name: | rel-(3aR,7aS)-7a-[(dimethylamino)methyl]-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-N,N-dimethyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 442.55 |
| Molecular Formula: | C20 H31 F N4 O4 S |
| Smiles: | CN(C)C[C@@]12CCN(C[C@H]2CN(C1)C(N(C)C)=O)S(c1cc(ccc1OC)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.208 |
| logD: | -1.6697 |
| logSw: | -2.4466 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.168 |
| InChI Key: | COPOEMLFZBXVHJ-QRWLVFNGSA-N |