N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide
Chemical Structure Depiction of
N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide
N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide
Compound characteristics
| Compound ID: | K623-0582 |
| Compound Name: | N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide |
| Molecular Weight: | 592.67 |
| Molecular Formula: | C34 H33 F N6 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccncc1)=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7763 |
| logD: | 3.6015 |
| logSw: | -4.0362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.819 |
| InChI Key: | QXWCULQTXIZAHR-UHFFFAOYSA-N |