N-{5-[4-(4-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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: | K623-0340 | 
| Compound Name: | N-{5-[4-(4-nitrophenyl)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: | 619.68 | 
| Molecular Formula: | C34 H33 N7 O5 | 
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccncc1)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O | 
| Stereo: | MIXTURE OF STEREOISOMERS | 
| logP: | 3.6729 | 
| logD: | 3.4981 | 
| logSw: | -3.992 | 
| Hydrogen bond acceptors count: | 11 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 104.201 | 
| InChI Key: | QNESRAFBIULMRG-UHFFFAOYSA-N | 
 
				 
				