rel-(3aR,6S,7R,7aS)-2-[3-(4-benzylpiperazin-1-yl)propyl]-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-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-(4-benzylpiperazin-1-yl)propyl]-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Available: 245 mg
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mg
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Compound characteristics

Compound ID: C073-4032
Compound Name: rel-(3aR,6S,7R,7aS)-2-[3-(4-benzylpiperazin-1-yl)propyl]-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Molecular Weight: 680.68
Molecular Formula: C36 H43 Cl2 N5 O4
Smiles: C1CCC(CC1)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(c(c4)[Cl])[Cl])=O)[C@@H]2C(N1CCCN1CCN(CC1)Cc1ccccc1)=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.1126
logD: 5.1126
logSw: -5.7076
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 79.298
InChI Key: LRKQHEZPRHJAJF-PAYBXJDISA-N
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