8-chloro-3-[3-(4-cyclohexylpiperazine-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-cyclohexylpiperazine-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-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0164 |
| Compound Name: | 8-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 509.05 |
| Molecular Formula: | C28 H33 Cl N4 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)C(N1CCN(CC1)C1CCCCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.637 |
| logD: | 4.4746 |
| logSw: | -4.8989 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.819 |
| InChI Key: | CPNOJHLUNLTWFU-UHFFFAOYSA-N |