3-(2-bromobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
3-(2-bromobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
3-(2-bromobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | K781-1275 |
| Compound Name: | 3-(2-bromobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 623.55 |
| Molecular Formula: | C34 H31 Br N4 O3 |
| Smiles: | C=CCN(C(c1ccc(c(c1)NC(c1ccccc1[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9153 |
| logD: | 5.2606 |
| logSw: | -5.9899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.083 |
| InChI Key: | PIYPOGJAGDTASM-UHFFFAOYSA-N |