rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-2-(3-methylbutyl)-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-methoxyphenyl)-2-(3-methylbutyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 404 mg
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mg
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Compound characteristics

Compound ID: C073-4055
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-2-(3-methylbutyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 495.62
Molecular Formula: C28 H37 N3 O5
Smiles: CC(C)CCN1C(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: 4.2188
logD: 4.2038
logSw: -4.3022
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 79.591
InChI Key: FLHUQXFFPGXPOW-CWFBTMNJSA-N
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