rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-(2-methoxyethyl)-N~7~-[3-(methylsulfanyl)phenyl]-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-2-(2-methoxyethyl)-N~7~-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 201 mg
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mg
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Compound characteristics

Compound ID: C073-4851
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-(2-methoxyethyl)-N~7~-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 499.63
Molecular Formula: C26 H33 N3 O5 S
Smiles: COCCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)SC)=O)[C@@H]2C1=O)O3
Stereo: MIXTURE OF STEREOISOMERS
logP: 2.8772
logD: 2.8748
logSw: -3.4145
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 80.389
InChI Key: BNHMWKDMIZQVEY-HGBNJVFYSA-N
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