N-[(1Z)-1-[4-(diethylamino)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-(diethylamino)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-(diethylamino)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: | K617-0115 |
| Compound Name: | N-[(1Z)-1-[4-(diethylamino)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: | 528.63 |
| Molecular Formula: | C31 H33 F N4 O3 |
| Smiles: | CCN(CC)c1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccc(cc2)F)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7094 |
| logD: | 1.9798 |
| logSw: | -4.3492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.246 |
| InChI Key: | LLXCFZBXGLWROW-UHFFFAOYSA-N |