dimethyl 5-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K781-1446 |
| Compound Name: | dimethyl 5-[3-(2-bromo-5-methoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 729.59 |
| Molecular Formula: | C36 H33 Br N4 O8 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3515 |
| logD: | 5.6072 |
| logSw: | -5.5905 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.465 |
| InChI Key: | RMECEQXAZAKSFX-UHFFFAOYSA-N |