N-[(1E)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[(1E)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-methylbenzamide
N-[(1E)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | K617-0055 |
| Compound Name: | N-[(1E)-1-(3-bromophenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-methylbenzamide |
| Molecular Weight: | 532.44 |
| Molecular Formula: | C28 H26 Br N3 O3 |
| Smiles: | Cc1ccccc1C(NC(=C\c1cccc(c1)[Br])\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.871 |
| logD: | 1.6035 |
| logSw: | -4.5836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | FQAZDGSXBXUUDP-UHFFFAOYSA-N |