rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-cyclooctyl-N~7~-(3-methoxyphenyl)-1-oxo-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-2-cyclooctyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 111 mg
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mg
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Compound characteristics

Compound ID: C073-4043
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-cyclooctyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 535.68
Molecular Formula: C31 H41 N3 O5
Smiles: COc1cccc(c1)NC([C@@H]1[C@@H]2C(N(C3CCCCCCC3)C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.2515
logD: 5.2365
logSw: -5.1231
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 78.893
InChI Key: NBEUIBUOSROPIW-CNJXUDLYSA-N
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