1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(2-methylbenzene-1-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(2-methylbenzene-1-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(2-methylbenzene-1-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-1107 |
| Compound Name: | 1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(2-methylbenzene-1-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C17 H24 N2 O4 S |
| Smiles: | CC(N1C[C@@H]2CCN(C[C@@]2(C1)CO)S(c1ccccc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8799 |
| logD: | 0.8799 |
| logSw: | -1.9073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.347 |
| InChI Key: | AAYOESDSWVVRKK-WBVHZDCISA-N |