4-tert-butyl-N-[5-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[5-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
4-tert-butyl-N-[5-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-1451 |
| Compound Name: | 4-tert-butyl-N-[5-({methyl[2-(pyridin-2-yl)ethyl]amino}methyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide |
| Molecular Weight: | 589.78 |
| Molecular Formula: | C37 H43 N5 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(CN(C)CCc2ccccn2)ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1513 |
| logD: | 4.8362 |
| logSw: | -5.4629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.848 |
| InChI Key: | DOVOXQLJDQJMHI-UHFFFAOYSA-N |