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
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
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 |