2-bromo-N-[(1Z)-1-(2-fluorophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[(1Z)-1-(2-fluorophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
2-bromo-N-[(1Z)-1-(2-fluorophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 3076-0501 |
| Compound Name: | 2-bromo-N-[(1Z)-1-(2-fluorophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 536.4 |
| Molecular Formula: | C27 H23 Br F N3 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1ccccc1F)NC(c1ccccc1[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3256 |
| logD: | 0.6982 |
| logSw: | -4.5834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | YUFAKYBAEKGEPI-QRVIBDJDSA-N |