3-(2-bromobenzamido)-N-(butan-2-yl)-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-(butan-2-yl)-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-(butan-2-yl)-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: | K781-1507 |
| Compound Name: | 3-(2-bromobenzamido)-N-(butan-2-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 563.49 |
| Molecular Formula: | C29 H31 Br N4 O3 |
| Smiles: | CCC(C)NC(c1ccc(c(c1)NC(c1ccccc1[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4975 |
| logD: | 3.7783 |
| logSw: | -4.3468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.608 |
| InChI Key: | XXSWPPUVRXPXPA-UHFFFAOYSA-N |