N-[3-cyano-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[3-cyano-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-methoxybenzamide
N-[3-cyano-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | R052-1684 |
| Compound Name: | N-[3-cyano-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-methoxybenzamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C26 H24 N4 O3 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc(c(C#N)c1)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9064 |
| logD: | 3.9031 |
| logSw: | -4.1718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.78 |
| InChI Key: | IWGFUHBEBPJGSY-UHFFFAOYSA-N |