2-bromo-N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-methoxybenzamide
2-bromo-N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-methoxybenzamide
Compound characteristics
| Compound ID: | K781-1580 |
| Compound Name: | 2-bromo-N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-methoxybenzamide |
| Molecular Weight: | 645.6 |
| Molecular Formula: | C34 H37 Br N4 O4 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCC1CCCCC=1)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8325 |
| logD: | 5.5217 |
| logSw: | -5.393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.473 |
| InChI Key: | BAUDUNBZVKKVAW-UHFFFAOYSA-N |