rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide

Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Available: 46 mg
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mg
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Compound characteristics

Compound ID: SB66-1154
Compound Name: rel-(5aR,8aR)-1-benzyl-N-(3-fluoro-2-methylphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Molecular Weight: 395.48
Molecular Formula: C23 H26 F N3 O2
Smiles: Cc1c(cccc1F)NC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 3.582
logD: 3.582
logSw: -3.6228
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 1
Polar surface area: 41.307
InChI Key: WRVYYODFIQNPAH-GHTZIAJQSA-N
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