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

Compound ID: C073-4037
Compound Name: rel-(3aR,6S,7R,7aS)-2-(butan-2-yl)-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 481.59
Molecular Formula: C27 H35 N3 O5
Smiles: CCC(C)N1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C1=O)O3
Stereo: MIXTURE OF STEREOISOMERS
logP: 3.7081
logD: 3.6931
logSw: -4.0599
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 78.917
InChI Key: XLWAZPOTNYVSEM-KTUKWBGASA-N
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