rel-(3aR,6S,7R,7aS)-2-(3-ethoxypropyl)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-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-(3-ethoxypropyl)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 292 mg
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mg
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Compound characteristics

Compound ID: C073-5364
Compound Name: rel-(3aR,6S,7R,7aS)-2-(3-ethoxypropyl)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 525.65
Molecular Formula: C29 H39 N3 O6
Smiles: CCOCCCN1C(C(NC2CCCCC2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C1=O)O3
Stereo: MIXTURE OF STEREOISOMERS
logP: 3.2302
logD: 3.2152
logSw: -3.6401
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 87.958
InChI Key: XSVITKYTADODOU-KTSOHPIZSA-N
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