N-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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: | K781-1266 |
| Compound Name: | N-(2-methoxyethyl)-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: | 512.61 |
| Molecular Formula: | C30 H32 N4 O4 |
| Smiles: | COCCNC(c1ccc(c(c1)NC(/C=C/c1ccccc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1831 |
| logD: | 4.1758 |
| logSw: | -4.3498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.138 |
| InChI Key: | KMSDKLNDMMZTPN-JLHYYAGUSA-N |