N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide
Chemical Structure Depiction of
N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide
N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | K623-0020 |
| Compound Name: | N-{5-[(3-acetylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-bromofuran-2-carboxamide |
| Molecular Weight: | 615.48 |
| Molecular Formula: | C31 H27 Br N4 O5 |
| Smiles: | CC(c1cccc(c1)NC(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1207 |
| logD: | 3.3974 |
| logSw: | -5.031 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.326 |
| InChI Key: | YWMHCHQCKNQDTL-UHFFFAOYSA-N |