3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one

Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one
Available: 34 mg
Amount:
mg
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Compound characteristics

Compound ID: SA12-0891
Compound Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one
Molecular Weight: 391.47
Molecular Formula: C22 H25 N5 O2
Smiles: Cc1c(CCC(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)c(C)on1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.6298
logD: 1.6298
logSw: -1.8404
Hydrogen bond acceptors count: 6
Polar surface area: 62.035
InChI Key: DPGWORDKYFEOHP-UHFFFAOYSA-N
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