3-{3-[4-(4-chlorophenyl)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-{3-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-{3-[4-(4-chlorophenyl)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: | C326-0087 |
| Compound Name: | 3-{3-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 503 |
| Molecular Formula: | C28 H27 Cl N4 O3 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1cccc(c1)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6752 |
| logD: | 4.6752 |
| logSw: | -4.9796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | LINUFLMIILOTRT-UHFFFAOYSA-N |