N-benzyl-3-(2-bromo-5-methoxybenzamido)-N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-benzyl-3-(2-bromo-5-methoxybenzamido)-N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-benzyl-3-(2-bromo-5-methoxybenzamido)-N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K781-0312 |
| Compound Name: | N-benzyl-3-(2-bromo-5-methoxybenzamido)-N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 641.57 |
| Molecular Formula: | C34 H33 Br N4 O4 |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6677 |
| logD: | 5.5888 |
| logSw: | -5.4319 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.176 |
| InChI Key: | NRRUQAKRTWXMJK-UHFFFAOYSA-N |