rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-1-oxo-2-[2-(piperidin-1-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide

Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-1-oxo-2-[2-(piperidin-1-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 180 mg
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mg
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Compound characteristics

Compound ID: C073-4027
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-1-oxo-2-[2-(piperidin-1-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 575.54
Molecular Formula: C29 H36 Cl2 N4 O4
Smiles: C1CCC(CC1)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(c(c4)[Cl])[Cl])=O)[C@@H]2C(N1CCN1CCCCC1)=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.6718
logD: 4.6718
logSw: -4.9224
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 75.758
InChI Key: VKKRJEASMCKVNU-XXVWYLNPSA-N
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