3,4,5-trimethoxy-N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-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-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-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-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-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: | K623-0630 |
| Compound Name: | 3,4,5-trimethoxy-N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-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: | 693.8 |
| Molecular Formula: | C39 H43 N5 O7 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(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: | 4.6563 |
| logD: | 4.655 |
| logSw: | -4.3721 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.698 |
| InChI Key: | KLXXKRWUIXVYPF-UHFFFAOYSA-N |