3,5-dimethoxy-N-{5-[3-methyl-4-(3-methylphenyl)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
3,5-dimethoxy-N-{5-[3-methyl-4-(3-methylphenyl)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
3,5-dimethoxy-N-{5-[3-methyl-4-(3-methylphenyl)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: | K623-0444 |
| Compound Name: | 3,5-dimethoxy-N-{5-[3-methyl-4-(3-methylphenyl)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: | 661.8 |
| Molecular Formula: | C39 H43 N5 O5 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(c(c1)NC(c1cc(cc(c1)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0201 |
| logD: | 6.0176 |
| logSw: | -5.3816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.697 |
| InChI Key: | IHWNMNIOEAFWEB-UHFFFAOYSA-N |