ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzoyl}piperazine-1-carboxylate
ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-1762 |
| Compound Name: | ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2E)-3-phenylprop-2-enamido]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 595.7 |
| Molecular Formula: | C34 H37 N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NC(/C=C/c1ccccc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5591 |
| logD: | 4.5577 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.697 |
| InChI Key: | ZUAPFJVOURJQFF-UHFFFAOYSA-N |