3-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0346 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 547.05 |
| Molecular Formula: | C30 H31 Cl N4 O4 |
| Smiles: | CCOc1cccc2C3CC(C)(N(C(N3)=O)c3cccc(c3)C(N3CCN(CC3)c3cccc(c3)[Cl])=O)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9915 |
| logD: | 4.9915 |
| logSw: | -5.1678 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.88 |
| InChI Key: | ZLKIGHRPRPJCOF-UHFFFAOYSA-N |