4-tert-butyl-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
4-tert-butyl-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-1487 |
| Compound Name: | 4-tert-butyl-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]benzamide |
| Molecular Weight: | 626.8 |
| Molecular Formula: | C40 H42 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCC(=CC1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5697 |
| logD: | 7.5216 |
| logSw: | -5.6633 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.859 |
| InChI Key: | UTBDBUPSTHFIAJ-UHFFFAOYSA-N |