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rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Available: 12 mg
Amount:
mg
Format:
$83.09
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Compound characteristics

Compound ID: SB66-0967
Compound Name: rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Molecular Weight: 420.48
Molecular Formula: C21 H22 F2 N2 O3 S
Smiles: C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)S(c1cccc(c1)F)(=O)=O)=O
Stereo: RELATIVE
logP: 3.0727
logD: 3.0727
logSw: -3.3692
Hydrogen bond acceptors count: 7
Polar surface area: 48.247
InChI Key: YCTGNVZLGSRVSW-OXJNMPFZSA-N
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