rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-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~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-2-(3-ethoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 548 mg
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mg
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Compound characteristics

Compound ID: C073-3996
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-2-(3-ethoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 550.48
Molecular Formula: C27 H33 Cl2 N3 O5
Smiles: CCOCCCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(c(c4)[Cl])[Cl])=O)[C@@H]2C1=O)O3
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.4197
logD: 3.1532
logSw: -4.5022
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 80.024
InChI Key: GYGIGGRRZOYMQS-HIAIHWCLSA-N
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