3-(2-bromobenzamido)-N-(4-ethoxyphenyl)-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-bromobenzamido)-N-(4-ethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(2-bromobenzamido)-N-(4-ethoxyphenyl)-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: | K781-1295 |
| Compound Name: | 3-(2-bromobenzamido)-N-(4-ethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 627.54 |
| Molecular Formula: | C33 H31 Br N4 O4 |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(c(c1)NC(c1ccccc1[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9208 |
| logD: | 4.632 |
| logSw: | -5.5436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.697 |
| InChI Key: | IMLDRCISSDEMIH-UHFFFAOYSA-N |