3-methoxy-N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]benzamide
Chemical Structure Depiction of
3-methoxy-N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]benzamide
3-methoxy-N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]benzamide
Compound characteristics
| Compound ID: | K617-0099 |
| Compound Name: | 3-methoxy-N-[(2Z,4E)-5-(2-methoxyphenyl)-1-oxo-1-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)penta-2,4-dien-2-yl]benzamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C31 H31 N3 O5 |
| Smiles: | COc1cccc(c1)C(NC(=C/C=C/c1ccccc1OC)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.693 |
| logD: | 3.3734 |
| logSw: | -4.4816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.684 |
| InChI Key: | XVXRUYBYOFQPFJ-UHFFFAOYSA-N |