N-[4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide
N-[4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8004-3420 |
| Compound Name: | N-[4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide |
| Molecular Weight: | 420.34 |
| Molecular Formula: | C20 H12 N4 O7 |
| Smiles: | CC(Nc1ccc(cc1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9567 |
| logD: | 1.9567 |
| logSw: | -3.1835 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.267 |
| InChI Key: | PIDFUUJBIASRMV-UHFFFAOYSA-N |