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

Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Available: 24 mg
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mg
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Compound characteristics

Compound ID: SB66-0625
Compound Name: 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Molecular Weight: 447.48
Molecular Formula: C19 H24 F3 N3 O4 S
Smiles: CS(N1C[C@H]2CCCC(N(CC(NCc3ccc(cc3)C(F)(F)F)=O)[C@H]2C1)=O)(=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.4076
logD: 1.4076
logSw: -2.4392
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 72.482
InChI Key: HKNYVBKZJMEINF-GOEBONIOSA-N
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