N-{5-[(3,4-difluorophenyl)carbamoyl]-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-[(3,4-difluorophenyl)carbamoyl]-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-[(3,4-difluorophenyl)carbamoyl]-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: | K781-1558 |
| Compound Name: | N-{5-[(3,4-difluorophenyl)carbamoyl]-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: | 576.55 |
| Molecular Formula: | C31 H24 F4 N4 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1c(cccc1F)F)=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8935 |
| logD: | 3.6855 |
| logSw: | -5.9715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.573 |
| InChI Key: | XHMSJBPXQDWLDZ-UHFFFAOYSA-N |