2-chloro-N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(4-methoxyphenyl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(4-methoxyphenyl)-4-nitrobenzamide
2-chloro-N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(4-methoxyphenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 0423-0499 |
| Compound Name: | 2-chloro-N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(4-methoxyphenyl)-4-nitrobenzamide |
| Molecular Weight: | 543.96 |
| Molecular Formula: | C29 H22 Cl N3 O6 |
| Smiles: | COc1ccc(cc1)N(CCCN1C(c2cccc3cccc(C1=O)c23)=O)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5037 |
| logD: | 5.5037 |
| logSw: | -6.1791 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.358 |
| InChI Key: | PDJZGMIOWQKAFM-UHFFFAOYSA-N |