(2E)-N-{5-[4-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)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: | K781-1673 |
| Compound Name: | (2E)-N-{5-[4-(2-methoxyphenyl)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: | 629.76 |
| Molecular Formula: | C38 H39 N5 O4 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc(c(c1)NC(/C=C/c1ccccc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6574 |
| logD: | 5.6559 |
| logSw: | -5.4624 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.507 |
| InChI Key: | DAYYBIYNEKEBRH-UHFFFAOYSA-N |