N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-4'-nitro-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide
Chemical Structure Depiction of
N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-4'-nitro-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide
N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-4'-nitro-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide
Compound characteristics
| Compound ID: | 4533-0273 |
| Compound Name: | N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-5-methyl-4'-nitro-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C26 H21 N3 O5 |
| Smiles: | CC1CC(C(CC=1)C(NN1C(c2cccc3cccc(C1=O)c23)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4772 |
| logD: | 4.4703 |
| logSw: | -4.786 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.557 |
| InChI Key: | VXZSUJLLRSZSJH-UHFFFAOYSA-N |