methyl 2-[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]benzoate
Chemical Structure Depiction of
methyl 2-[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]benzoate
methyl 2-[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]benzoate
Compound characteristics
| Compound ID: | K781-1734 |
| Compound Name: | methyl 2-[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]benzoate |
| Molecular Weight: | 671.55 |
| Molecular Formula: | C34 H31 Br N4 O6 |
| Smiles: | COC(c1ccccc1NC(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7854 |
| logD: | 5.0411 |
| logSw: | -5.5428 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.593 |
| InChI Key: | UBZXFCAAUZFTPD-UHFFFAOYSA-N |