N-{5-[(5-chloro-2-methylphenyl)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-[(5-chloro-2-methylphenyl)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-[(5-chloro-2-methylphenyl)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: | K781-1684 |
| Compound Name: | N-{5-[(5-chloro-2-methylphenyl)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: | 589.04 |
| Molecular Formula: | C32 H27 Cl F2 N4 O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)NC(c1c(cccc1F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1922 |
| logD: | 3.9843 |
| logSw: | -6.3196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.876 |
| InChI Key: | KKHWLDVLTINHCY-UHFFFAOYSA-N |