N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide
N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | K623-0014 |
| Compound Name: | N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 636.71 |
| Molecular Formula: | C36 H36 N4 O7 |
| Smiles: | CC(c1cccc(c1)NC(c1ccc(c(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7642 |
| logD: | 4.7372 |
| logSw: | -4.571 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.378 |
| InChI Key: | XUAHHRBBASZBKE-UHFFFAOYSA-N |