(oxan-4-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone

Chemical Structure Depiction of
(oxan-4-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
Available: 71 mg
Amount:
mg
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Compound characteristics

Compound ID: SA12-0855
Compound Name: (oxan-4-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
Molecular Weight: 352.43
Molecular Formula: C20 H24 N4 O2
Smiles: C1COCCC1C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.2588
logD: 1.2587
logSw: -1.6327
Hydrogen bond acceptors count: 5
Polar surface area: 48.625
InChI Key: ZPPGMIIUBLGAJU-UHFFFAOYSA-N
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