5-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
5-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0284 |
| Compound Name: | 5-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide |
| Molecular Weight: | 667.94 |
| Molecular Formula: | C31 H28 Br Cl N4 O6 |
| Smiles: | COc1cc(c(cc1NC(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8768 |
| logD: | 4.1536 |
| logSw: | -6.0905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.062 |
| InChI Key: | WMNGEEZCNBAKPF-UHFFFAOYSA-N |