rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine

Chemical Structure Depiction of
rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Available: 5 mg
Amount:
mg
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Compound characteristics

Compound ID: SA12-0232
Compound Name: rel-(6R,9S)-11-(2,5-dimethoxybenzene-1-sulfonyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Molecular Weight: 406.5
Molecular Formula: C19 H26 N4 O4 S
Smiles: CC(C)c1nnc2C[C@@H]3CC[C@H](Cn12)N3S(c1cc(ccc1OC)OC)(=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.434
logD: 1.4337
logSw: -2.3671
Hydrogen bond acceptors count: 9
Polar surface area: 72.586
InChI Key: YEOGUFAOXYAADF-UHFFFAOYSA-N
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