4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)-3-(3,4,5-trimethoxybenzamido)benzamide
Chemical Structure Depiction of
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)-3-(3,4,5-trimethoxybenzamido)benzamide
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)-3-(3,4,5-trimethoxybenzamido)benzamide
Compound characteristics
| Compound ID: | K623-0212 |
| Compound Name: | 4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)-3-(3,4,5-trimethoxybenzamido)benzamide |
| Molecular Weight: | 634.73 |
| Molecular Formula: | C37 H38 N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N(CC=C)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3868 |
| logD: | 5.3815 |
| logSw: | -5.3944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.061 |
| InChI Key: | XUMQMZNFBZBLRI-UHFFFAOYSA-N |