4-fluoro-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Chemical Structure Depiction of
4-fluoro-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
4-fluoro-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K623-0391 |
| Compound Name: | 4-fluoro-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C35 H34 F N5 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccc(cc1)F)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9038 |
| logD: | 4.6466 |
| logSw: | -4.919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.391 |
| InChI Key: | NECNUYSGUMVZQO-UHFFFAOYSA-N |