3,4,5-trimethoxy-N-{5-[(2-methylpropyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-{5-[(2-methylpropyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzamide
3,4,5-trimethoxy-N-{5-[(2-methylpropyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzamide
Compound characteristics
| Compound ID: | K623-0850 |
| Compound Name: | 3,4,5-trimethoxy-N-{5-[(2-methylpropyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzamide |
| Molecular Weight: | 574.68 |
| Molecular Formula: | C32 H38 N4 O6 |
| Smiles: | CC(C)CNC(c1ccc(c(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2745 |
| logD: | 4.2681 |
| logSw: | -4.3487 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.145 |
| InChI Key: | NOVGMJLBPNHQRE-UHFFFAOYSA-N |