N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide
Chemical Structure Depiction of
N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide
N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | K781-1793 |
| Compound Name: | N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide |
| Molecular Weight: | 622.72 |
| Molecular Formula: | C37 H36 F2 N4 O3 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(c(c1)NC(c1c(cccc1F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5047 |
| logD: | 5.6 |
| logSw: | -6.2133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.859 |
| InChI Key: | WJLTXUXCBMXXAB-UHFFFAOYSA-N |