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

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

Compound ID: SB66-0960
Compound Name: rel-(5aR,8aR)-7-(5-chloro-2-methoxybenzoyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Molecular Weight: 430.91
Molecular Formula: C23 H24 Cl F N2 O3
Smiles: COc1ccc(cc1C(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O)[Cl]
Stereo: RELATIVE
logP: 3.3968
logD: 3.3968
logSw: -3.8933
Hydrogen bond acceptors count: 5
Polar surface area: 40.815
InChI Key: RKKLAWXOTHWLEG-OXJNMPFZSA-N
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