(2E)-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}-3-phenylprop-2-enamide
Chemical Structure Depiction of
(2E)-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}-3-phenylprop-2-enamide
(2E)-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}-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K781-1236 |
| Compound Name: | (2E)-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}-3-phenylprop-2-enamide |
| Molecular Weight: | 644.73 |
| Molecular Formula: | C37 H36 N6 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(/C=C/c1ccccc1)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7039 |
| logD: | 5.7024 |
| logSw: | -5.9022 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.559 |
| InChI Key: | RPEXFVMUPCJZSE-UHFFFAOYSA-N |