N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide
Compound characteristics
| Compound ID: | 5042-0443 |
| Compound Name: | N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide |
| Molecular Weight: | 419.39 |
| Molecular Formula: | C22 H17 N3 O6 |
| Smiles: | COc1ccccc1NC(CCN1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1156 |
| logD: | 3.1154 |
| logSw: | -3.8865 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.995 |
| InChI Key: | HJUXXJBICDLYHE-UHFFFAOYSA-N |