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
Available: 27 mg
Amount:
mg
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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
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