rel-(3aR,6S,7R,7aS)-2-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 437 mg
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mg
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Compound characteristics

Compound ID: C073-5336
Compound Name: rel-(3aR,6S,7R,7aS)-2-[(4-chlorophenyl)methyl]-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: 564.08
Molecular Formula: C31 H34 Cl N3 O5
Smiles: CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1Cc1ccc(cc1)[Cl])=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.7218
logD: 4.7069
logSw: -4.9555
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 79.731
InChI Key: DNUIHPIGACVXIM-MPHPREESSA-N
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