2-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
Chemical Structure Depiction of
2-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
2-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-1491 |
| Compound Name: | 2-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide |
| Molecular Weight: | 649.59 |
| Molecular Formula: | C36 H33 Br N4 O3 |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc(c(c1)NC(c1ccccc1[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0845 |
| logD: | 5.8273 |
| logSw: | -6.0785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.859 |
| InChI Key: | WURRJFSJMASOSU-UHFFFAOYSA-N |