3-{4-[4-(3-methoxyphenyl)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-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-{4-[4-(3-methoxyphenyl)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: | C432-0076 |
| Compound Name: | 3-{4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C29 H30 N4 O4 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1ccc(cc1)C(N1CCN(CC1)c1cccc(c1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0368 |
| logD: | 4.0368 |
| logSw: | -4.2575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.529 |
| InChI Key: | JHMBUVIRJOTAJN-UHFFFAOYSA-N |