N-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)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-[(2,3-dihydro-1,4-benzodioxin-6-yl)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-[(2,3-dihydro-1,4-benzodioxin-6-yl)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: | K623-0586 |
| Compound Name: | N-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)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: | 652.71 |
| Molecular Formula: | C36 H36 N4 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9958 |
| logD: | 3.9689 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.374 |
| InChI Key: | QQENUCJZBBEGPE-UHFFFAOYSA-N |