3-[2-nitro-4-(4-phenyl-3,6-dihydropyridine-1(2H)-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-phenyl-3,6-dihydropyridine-1(2H)-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-phenyl-3,6-dihydropyridine-1(2H)-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: | K621-0044 |
| Compound Name: | 3-[2-nitro-4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.35 |
| logD: | 4.35 |
| logSw: | -4.5954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.546 |
| InChI Key: | DGZZVRSRZCWSJN-UHFFFAOYSA-N |