rel-(3aR,6S,7R,7aS)-N~7~-(4-bromophenyl)-2-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-cyclohexyl-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~7~-(4-bromophenyl)-2-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 387 mg
Amount:
mg
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Compound characteristics

Compound ID: C073-4538
Compound Name: rel-(3aR,6S,7R,7aS)-N~7~-(4-bromophenyl)-2-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 582.54
Molecular Formula: C30 H36 Br N3 O4
Smiles: C1CCC(CC1)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(cc4)[Br])=O)[C@@H]2C(N1CCC1CCCCC=1)=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.4012
logD: 5.311
logSw: -5.5956
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 71.967
InChI Key: HKEFTPXOVQOGNO-YJLXJHRQSA-N
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