4'-bromo-N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide
Chemical Structure Depiction of
4'-bromo-N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide
4'-bromo-N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide
Compound characteristics
| Compound ID: | 4533-0272 |
| Compound Name: | 4'-bromo-N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide |
| Molecular Weight: | 489.37 |
| Molecular Formula: | C26 H21 Br N2 O3 |
| Smiles: | CC1CC(C(CC=1)C(NN1C(c2cccc3cccc(C1=O)c23)=O)=O)c1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3855 |
| logD: | 5.3785 |
| logSw: | -6.0737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.176 |
| InChI Key: | NRRWWMHKAWAGHA-UHFFFAOYSA-N |