10-ethoxy-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-ethoxy-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-ethoxy-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: | C326-0351 |
| Compound Name: | 10-ethoxy-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: | 557.61 |
| Molecular Formula: | C30 H31 N5 O6 |
| Smiles: | CCOc1cccc2C3CC(C)(N(C(N3)=O)c3cccc(c3)C(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4551 |
| logD: | 4.4551 |
| logSw: | -4.4052 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.261 |
| InChI Key: | DFRRNQCIYWFTCK-UHFFFAOYSA-N |