N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide

Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Available: 6 mg
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mg
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Compound characteristics

Compound ID: SD16-0932
Compound Name: N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Molecular Weight: 442.51
Molecular Formula: C24 H28 F2 N4 O2
Smiles: CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(c1cc(ccc1F)F)=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 4.0509
logD: 4.0506
logSw: -4.013
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 51.885
InChI Key: BQMIWHYXRYXYKU-HRAATJIYSA-N
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