3-{2-nitro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{2-nitro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{2-nitro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | K621-0031 |
| Compound Name: | 3-{2-nitro-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 544.57 |
| Molecular Formula: | C28 H28 N6 O6 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4968 |
| logD: | 3.4968 |
| logSw: | -3.7474 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 105.46 |
| InChI Key: | OOXOOQYKFAWQQN-UHFFFAOYSA-N |