5-bromo-N-[(1Z)-1-(2-chlorophenyl)-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]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(1Z)-1-(2-chlorophenyl)-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]pyridine-3-carboxamide
5-bromo-N-[(1Z)-1-(2-chlorophenyl)-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]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K617-0081 |
| Compound Name: | 5-bromo-N-[(1Z)-1-(2-chlorophenyl)-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]pyridine-3-carboxamide |
| Molecular Weight: | 553.84 |
| Molecular Formula: | C26 H22 Br Cl N4 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1ccccc1[Cl])NC(c1cc(cnc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3299 |
| logD: | 0.4035 |
| logSw: | -4.547 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.118 |
| InChI Key: | PUGZFKWRGKUQPP-UHFFFAOYSA-N |