N-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide
N-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 3594-0979 |
| Compound Name: | N-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]acetamide |
| Molecular Weight: | 375.34 |
| Molecular Formula: | C20 H13 N3 O5 |
| Smiles: | CC(Nc1ccc(cc1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3556 |
| logD: | 2.3556 |
| logSw: | -3.2722 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.585 |
| InChI Key: | MUXUDKOBLXKSNI-UHFFFAOYSA-N |