3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one

Chemical Structure Depiction of
3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Available: 134 mg
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mg
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Compound characteristics

Compound ID: C432-0080
Compound Name: 3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Molecular Weight: 526.59
Molecular Formula: C30 H30 N4 O5
Smiles: CC12CC(c3ccccc3O2)NC(N1c1ccc(cc1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 3.481
logD: 3.2894
logSw: -3.7303
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 70.381
InChI Key: MBNSJODNDVRMON-UHFFFAOYSA-N
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