N-[(3-chlorophenyl)methyl]-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K623-0059 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 613.11 |
| Molecular Formula: | C34 H33 Cl N4 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8712 |
| logD: | 5.8585 |
| logSw: | -6.0413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.983 |
| InChI Key: | GLIOFVJRDHAHOO-UHFFFAOYSA-N |