N-[(1Z)-1-[4-(benzyloxy)phenyl]-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]-4-fluorobenzamide
Chemical Structure Depiction of
N-[(1Z)-1-[4-(benzyloxy)phenyl]-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]-4-fluorobenzamide
N-[(1Z)-1-[4-(benzyloxy)phenyl]-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]-4-fluorobenzamide
Compound characteristics
| Compound ID: | K617-0014 |
| Compound Name: | N-[(1Z)-1-[4-(benzyloxy)phenyl]-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]-4-fluorobenzamide |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C34 H30 F N3 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1ccc(cc1)OCc1ccccc1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3132 |
| logD: | 2.5836 |
| logSw: | -5.6599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.738 |
| InChI Key: | GECIVCIUDVVKEZ-UHFFFAOYSA-N |