3-(4-fluorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Chemical Structure Depiction of
3-(4-fluorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
3-(4-fluorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | K623-0413 |
| Compound Name: | 3-(4-fluorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide |
| Molecular Weight: | 612.66 |
| Molecular Formula: | C34 H33 F N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(c(c1)NC(c1ccc(cc1)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6521 |
| logD: | 3.3634 |
| logSw: | -4.4914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.551 |
| InChI Key: | MCOIZPDAGXGTGY-UHFFFAOYSA-N |