(furan-2-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
(furan-2-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: 40 mg
Amount:
mg
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Compound characteristics

Compound ID: SA12-0881
Compound Name: (furan-2-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: 334.38
Molecular Formula: C19 H18 N4 O2
Smiles: C1C[C@@H]2Cn3c(C[C@H]1N2C(c1ccco1)=O)nnc3c1ccccc1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.4166
logD: 1.4166
logSw: -1.4965
Hydrogen bond acceptors count: 5
Polar surface area: 49.103
InChI Key: JMQMHFVPHOJAIZ-UHFFFAOYSA-N
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