2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Available: 19 mg
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mg
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Compound characteristics

Compound ID: SB66-0626
Compound Name: 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Molecular Weight: 409.5
Molecular Formula: C19 H27 N3 O5 S
Smiles: COc1ccc(CNC(CN2C(CCC[C@@H]3CN(C[C@H]23)S(C)(=O)=O)=O)=O)cc1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 0.5173
logD: 0.5173
logSw: -2.313
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 80.026
InChI Key: YANZCTFRBOOJGW-DOTOQJQBSA-N
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