rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Available: 5 mg
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mg
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Compound characteristics

Compound ID: SB66-0335
Compound Name: rel-(5aR,8aR)-7-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Molecular Weight: 408.54
Molecular Formula: C24 H32 N4 O2
Smiles: Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(CCn2c(C)cc(C)n2)=O)=O)cc1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.6842
logD: 1.684
logSw: -2.0653
Hydrogen bond acceptors count: 5
Polar surface area: 46.642
InChI Key: FFXVKXUFFZZCSH-VXKWHMMOSA-N
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