N-benzyl-N-methyl-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]benzamide
Chemical Structure Depiction of
N-benzyl-N-methyl-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]benzamide
N-benzyl-N-methyl-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]benzamide
Compound characteristics
| Compound ID: | K781-1498 |
| Compound Name: | N-benzyl-N-methyl-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]benzamide |
| Molecular Weight: | 558.68 |
| Molecular Formula: | C35 H34 N4 O3 |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(c(c1)NC(/C=C/c1ccccc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8295 |
| logD: | 5.8281 |
| logSw: | -5.5233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.419 |
| InChI Key: | FFYZBARZNBNDSO-UHFFFAOYSA-N |