10-methoxy-2-methyl-3-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
10-methoxy-2-methyl-3-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
10-methoxy-2-methyl-3-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C326-0263 |
| Compound Name: | 10-methoxy-2-methyl-3-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C29 H29 N5 O6 |
| Smiles: | CC12CC(c3cccc(c3O2)OC)NC(N1c1cccc(c1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9376 |
| logD: | 3.9376 |
| logSw: | -4.1473 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.682 |
| InChI Key: | VSQKKCKILJFZIX-UHFFFAOYSA-N |