1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one

Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Available: 3 mg
Amount:
mg
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Compound characteristics

Compound ID: S997-1363
Compound Name: 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Molecular Weight: 392.52
Molecular Formula: C20 H28 N2 O4 S
Smiles: CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1ccc2CCCCc2c1)(=O)=O)CO)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.0125
logD: 2.0125
logSw: -2.5538
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 66.268
InChI Key: IZNFMJFDZIWLIV-UYAOXDASSA-N
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