N-{5-[benzyl(methyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide
Chemical Structure Depiction of
N-{5-[benzyl(methyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide
N-{5-[benzyl(methyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | K623-0262 |
| Compound Name: | N-{5-[benzyl(methyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide |
| Molecular Weight: | 601.5 |
| Molecular Formula: | C31 H29 Br N4 O4 |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1849 |
| logD: | 4.67 |
| logSw: | -5.0784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.559 |
| InChI Key: | PSXQJNJOKRMUMR-UHFFFAOYSA-N |