N-[(1Z)-1-(3-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]furan-2-carboxamide
Chemical Structure Depiction of
N-[(1Z)-1-(3-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]furan-2-carboxamide
N-[(1Z)-1-(3-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]furan-2-carboxamide
Compound characteristics
| Compound ID: | K617-0130 |
| Compound Name: | N-[(1Z)-1-(3-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]furan-2-carboxamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C25 H22 F N3 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1cccc(c1)F)NC(c1ccco1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1643 |
| logD: | 0.8825 |
| logSw: | -3.3639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.089 |
| InChI Key: | HUXYIMQKOZRBMC-UHFFFAOYSA-N |