8-chloro-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
8-chloro-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
8-chloro-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: | C200-1288 |
| Compound Name: | 8-chloro-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: | 537.45 |
| Molecular Formula: | C28 H26 Cl2 N4 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3315 |
| logD: | 5.3315 |
| logSw: | -6.0036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.985 |
| InChI Key: | QKOUFGVHZROHDT-UHFFFAOYSA-N |