2-bromo-N-{(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl}benzamide
2-bromo-N-{(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | K617-0133 |
| Compound Name: | 2-bromo-N-{(1Z)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-[3-(trifluoromethyl)phenyl]prop-1-en-2-yl}benzamide |
| Molecular Weight: | 586.41 |
| Molecular Formula: | C28 H23 Br F3 N3 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1cccc(c1)C(F)(F)F)NC(c1ccccc1[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0154 |
| logD: | 3.0021 |
| logSw: | -4.8833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | AERQPURCHGCBOP-UHFFFAOYSA-N |