2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0096 |
| Compound Name: | 2-methyl-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C28 H28 N4 O3 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1cccc(c1)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9589 |
| logD: | 3.9589 |
| logSw: | -4.1265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | NICKNBVVZDCGBA-UHFFFAOYSA-N |