rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-[3-(methylsulfanyl)phenyl]-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/ 1)

Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-[3-(methylsulfanyl)phenyl]-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/ 1)
Available: 384 mg
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mg
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Compound characteristics

Compound ID: C073-3549
Compound Name: rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-[3-(methylsulfanyl)phenyl]-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/ 1)
Molecular Weight: 633.25
Molecular Formula: C32 H44 N4 O5 S
Salt: HCl
Smiles: CC1CCCC(C1C)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)SC)=O)[C@@H]2C(N1CCCN1CCOCC1)=O)O3)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 2.6801
logD: 2.4634
logSw: -3.2071
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 84.056
InChI Key: MBJBHWLGYADHIF-CTOGHTQKSA-N
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