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]-3,4-dimethoxybenzamide
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]-3,4-dimethoxybenzamide
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]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | R052-1685 |
| 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]-3,4-dimethoxybenzamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc(c(C#N)c1)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5482 |
| logD: | 3.5474 |
| logSw: | -3.7955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.497 |
| InChI Key: | XAPWGMKVAOKSJO-UHFFFAOYSA-N |