1-[rel-(3aR,7aS)-2-(benzenesulfonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(benzenesulfonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(benzenesulfonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
Compound ID: | S858-3841 |
Compound Name: | 1-[rel-(3aR,7aS)-2-(benzenesulfonyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
Molecular Weight: | 338.42 |
Molecular Formula: | C16 H22 N2 O4 S |
Smiles: | CC(N1CC[C@H]2CN(C[C@]2(C1)CO)S(c1ccccc1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.5818 |
logD: | 0.5818 |
logSw: | -2.0771 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.347 |
InChI Key: | YAYGBZGPFPYGAM-GDBMZVCRSA-N |