3-[(2,4-dimethoxyphenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-[(2,4-dimethoxyphenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(2,4-dimethoxyphenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K786-1166 |
| Compound Name: | 3-[(2,4-dimethoxyphenyl)carbamamido]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 667.76 |
| Molecular Formula: | C37 H41 N5 O7 |
| Smiles: | COc1ccc(c(c1)OC)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5584 |
| logD: | 4.5582 |
| logSw: | -4.4122 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.686 |
| InChI Key: | GWWKBJHZDIOQCI-UHFFFAOYSA-N |