3-[(2,4-dimethoxyphenyl)carbamamido]-N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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: | K786-1161 |
| Compound Name: | 3-[(2,4-dimethoxyphenyl)carbamamido]-N-[(4-fluorophenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 611.67 |
| Molecular Formula: | C34 H34 F N5 O5 |
| Smiles: | COc1ccc(c(c1)OC)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1369 |
| logD: | 5.1367 |
| logSw: | -5.0738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.584 |
| InChI Key: | BRFSHENIBLQJFI-UHFFFAOYSA-N |