rel-(3aR,6S,7R,7aS)-N~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-(3-ethoxypropyl)-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~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-(3-ethoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 234 mg
Amount:
mg
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Compound characteristics

Compound ID: C073-4284
Compound Name: rel-(3aR,6S,7R,7aS)-N~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-(3-ethoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 516.04
Molecular Formula: C27 H34 Cl N3 O5
Smiles: CCOCCCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(cc4)[Cl])=O)[C@@H]2C1=O)O3
Stereo: MIXTURE OF STEREOISOMERS
logP: 3.5402
logD: 3.4499
logSw: -4.0271
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 80.024
InChI Key: KRBNTEIPZDRUHO-HIAIHWCLSA-N
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